CID 83709389

1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1CN(CC1C(=O)O)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKey
FPGYADRKFPWWLU-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.05565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 147.2
[M+Na]+ 248.04487 159.4
[M+NH4]+ 243.08947 155.5
[M+K]+ 264.01881 155.0
[M-H]- 224.04837 149.4
[M+Na-2H]- 246.03032 153.2
[M]+ 225.05510 149.7
[M]- 225.05620 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.