CID 3159621

1359731-74-0

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
C1CC(N(C1)CC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)8-14-7-1-2-11(14)12(15)16/h3-6,11H,1-2,7-8H2,(H,15,16)
InChIKey
AFFQKOXRJTVUEF-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

239.0713 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 151.7
[M+Na]+ 262.06052 163.8
[M+NH4]+ 257.10512 159.8
[M+K]+ 278.03446 159.0
[M-H]- 238.06402 153.9
[M+Na-2H]- 260.04597 157.5
[M]+ 239.07075 154.1
[M]- 239.07185 154.1
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