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 147.9
[M+Na]+ 248.04487 155.8
[M-H]- 224.04837 151.9
[M+NH4]+ 243.08947 166.6
[M+K]+ 264.01881 151.3
[M+H-H2O]+ 208.05291 141.7
[M+HCOO]- 270.05385 163.4
[M+CH3COO]- 284.06950 183.8
[M+Na-2H]- 246.03032 149.4
[M]+ 225.05510 146.8
[M]- 225.05620 146.8
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.