PubChemLite - 2307772-13-8 (C23H23NO4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H23NO4/c25-21(26)23-11-5-6-15(23)12-24(14-23)22(27)28-13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,25,26)/t15-,23-/m0/s1

InChIKey

GCRORTMHBOUYBH-WNSKOXEYSA-N

Compound name

(3aR,6aR)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-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	192.5
[M+Na]+	400.15194	198.2
[M-H]-	376.15544	199.4
[M+NH4]+	395.19654	212.0
[M+K]+	416.12588	193.2
[M+H-H2O]+	360.15998	186.3
[M+HCOO]-	422.16092	207.2
[M+CH3COO]-	436.17657	201.7
[M+Na-2H]-	398.13739	189.2
[M]+	377.16217	192.2
[M]-	377.16327	192.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

378.17000

192.5

[M+Na]+

400.15194

198.2

[M-H]-

376.15544

199.4

[M+NH4]+

395.19654

212.0

[M+K]+

416.12588

193.2

[M+H-H2O]+

360.15998

186.3

[M+HCOO]-

422.16092

207.2

[M+CH3COO]-

436.17657

201.7

[M+Na-2H]-

398.13739

189.2

[M]+

377.16217

192.2

[M]-

377.16327

192.2

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

2307772-13-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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