CID 11076282

64187-47-9

Structural Information

Molecular Formula
C13H13NO5
SMILES
C1[C@H](N(CC1=O)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m0/s1
InChIKey
RPLLCMZOIFOBIF-NSHDSACASA-N
Compound name
(2S)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

263.07938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 156.5
[M+Na]+ 286.06860 162.7
[M-H]- 262.07210 160.5
[M+NH4]+ 281.11320 172.4
[M+K]+ 302.04254 160.8
[M+H-H2O]+ 246.07664 149.4
[M+HCOO]- 308.07758 176.0
[M+CH3COO]- 322.09323 190.4
[M+Na-2H]- 284.05405 156.7
[M]+ 263.07883 156.3
[M]- 263.07993 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe