CID 28410936

129297-52-5

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1C[C@H](N(C1)C2=CC=C(C=C2)C#N)C(=O)O
InChI
InChI=1S/C12H12N2O2/c13-8-9-3-5-10(6-4-9)14-7-1-2-11(14)12(15)16/h3-6,11H,1-2,7H2,(H,15,16)/t11-/m0/s1
InChIKey
QXPDICRRGHNHKO-NSHDSACASA-N
Compound name
(2S)-1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 149.8
[M+Na]+ 239.07909 160.2
[M+NH4]+ 234.12369 153.7
[M+K]+ 255.05303 153.3
[M-H]- 215.08259 144.1
[M+Na-2H]- 237.06454 152.5
[M]+ 216.08932 148.6
[M]- 216.09042 148.6
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

patents stripe