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

26
Patents

234.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 151.9
[M+Na]+ 257.089668 156.7
[M-H]- 233.093174 155.7
[M+NH4]+ 252.134273 168.6
[M+K]+ 273.063608 154.4
[M+H-H2O]+ 217.097710 144.4
[M+HCOO]- 279.098651 172.2
[M+CH3COO]- 293.114301 187.7
[M+Na-2H]- 255.075116 153.5
[M]+ 234.09990142 148.0
[M]- 234.10099858 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.