CID 1514278

2137082-40-5

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CN(C[C@@H]1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)11-14-9-10-22(12-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)/t14-/m0/s1
InChIKey
NOVFSLBJPZLTLZ-AWEZNQCLSA-N
Compound name
2-[(3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

351.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 184.1
[M+Na]+ 374.136278 189.7
[M-H]- 350.139784 189.8
[M+NH4]+ 369.180883 200.2
[M+K]+ 390.110218 185.2
[M+H-H2O]+ 334.144320 176.9
[M+HCOO]- 396.145261 200.6
[M+CH3COO]- 410.160911 193.7
[M+Na-2H]- 372.121726 182.2
[M]+ 351.14651142 184.6
[M]- 351.14760858 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.