PubChemLite - (2s,3as,6as)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-octahydrocyclopenta[b]pyrrole-2-carboxylic acid (C23H23NO4)

Structural Information

Molecular Formula

SMILES

C1C[C@H]2C[C@H](N([C@H]2C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C23H23NO4/c25-22(26)21-12-14-6-5-11-20(14)24(21)23(27)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19-21H,5-6,11-13H2,(H,25,26)/t14-,20-,21-/m0/s1

InChIKey

XPFJHPFCCQQAJH-WVFSVQOHSA-N

Compound name

(2S,3aS,6aS)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	378.17000	191.4
[M+Na]+	400.15194	196.7
[M-H]-	376.15544	198.4
[M+NH4]+	395.19654	209.1
[M+K]+	416.12588	191.9
[M+H-H2O]+	360.15998	185.5
[M+HCOO]-	422.16092	206.1
[M+CH3COO]-	436.17657	200.6
[M+Na-2H]-	398.13739	186.5
[M]+	377.16217	191.2
[M]-	377.16327	191.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

378.17000

191.4

[M+Na]+

400.15194

196.7

[M-H]-

376.15544

198.4

[M+NH4]+

395.19654

209.1

[M+K]+

416.12588

191.9

[M+H-H2O]+

360.15998

185.5

[M+HCOO]-

422.16092

206.1

[M+CH3COO]-

436.17657

200.6

[M+Na-2H]-

398.13739

186.5

[M]+

377.16217

191.2

[M]-

377.16327

191.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(2s,3as,6as)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-octahydrocyclopenta[b]pyrrole-2-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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