CID 44146716

O-carboxyphenyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C12H11NO5
SMILES
C1CC(=O)N[C@@H]1C(=O)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C12H11NO5/c14-10-6-5-8(13-10)12(17)18-9-4-2-1-3-7(9)11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKey
QIVGHCRIRZKFKJ-QMMMGPOBSA-N
Compound name
2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.070996 152.3
[M+Na]+ 272.052938 158.4
[M-H]- 248.056444 155.1
[M+NH4]+ 267.097543 168.0
[M+K]+ 288.026878 155.9
[M+H-H2O]+ 232.060980 145.5
[M+HCOO]- 294.061921 170.6
[M+CH3COO]- 308.077571 185.7
[M+Na-2H]- 270.038386 152.6
[M]+ 249.06317142 149.9
[M]- 249.06426858 149.9
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.