PubChemLite - (2s,4r)-4-(tert-butoxy)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid (C24H27NO5)

Structural Information

Molecular Formula

SMILES

CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C24H27NO5/c1-24(2,3)30-15-12-21(22(26)27)25(13-15)23(28)29-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,27)/t15-,21+/m1/s1

InChIKey

WPBXBYOKQUEIDW-VFNWGFHPSA-N

Compound name

(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-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]+	410.19621	200.8
[M+Na]+	432.17815	205.9
[M-H]-	408.18165	206.7
[M+NH4]+	427.22275	214.8
[M+K]+	448.15209	202.4
[M+H-H2O]+	392.18619	194.3
[M+HCOO]-	454.18713	214.6
[M+CH3COO]-	468.20278	221.7
[M+Na-2H]-	430.16360	198.4
[M]+	409.18838	203.6
[M]-	409.18948	203.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

410.19621

200.8

[M+Na]+

432.17815

205.9

[M-H]-

408.18165

206.7

[M+NH4]+

427.22275

214.8

[M+K]+

448.15209

202.4

[M+H-H2O]+

392.18619

194.3

[M+HCOO]-

454.18713

214.6

[M+CH3COO]-

468.20278

221.7

[M+Na-2H]-

430.16360

198.4

[M]+

409.18838

203.6

[M]-

409.18948

203.6

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

(2s,4r)-4-(tert-butoxy)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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