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

0
Patents

351.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.1
[M+Na]+ 374.13628 189.7
[M-H]- 350.13978 189.8
[M+NH4]+ 369.18088 200.2
[M+K]+ 390.11022 185.2
[M+H-H2O]+ 334.14432 176.9
[M+HCOO]- 396.14526 200.6
[M+CH3COO]- 410.16091 193.7
[M+Na-2H]- 372.12173 182.2
[M]+ 351.14651 184.6
[M]- 351.14761 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.