CID 671077

(2s)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1C[C@H](N(C1)C(=O)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H14N2O3/c15-11(16)10-7-4-8-14(10)12(17)13-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKey
ZEEAHHXBZHTCOI-JTQLQIEISA-N
Compound name
(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

16
Patents

234.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.9
[M+Na]+ 257.08967 156.7
[M-H]- 233.09317 155.7
[M+NH4]+ 252.13427 168.6
[M+K]+ 273.06361 154.4
[M+H-H2O]+ 217.09771 144.4
[M+HCOO]- 279.09865 172.2
[M+CH3COO]- 293.11430 187.7
[M+Na-2H]- 255.07512 153.5
[M]+ 234.09990 148.0
[M]- 234.10100 148.0
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.