CID 12707331

78648-27-8

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CCN(C1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)
InChIKey
SSALRORMOVCZTK-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

191.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.4
[M+Na]+ 214.08386 147.6
[M-H]- 190.08736 145.2
[M+NH4]+ 209.12846 160.3
[M+K]+ 230.05780 145.0
[M+H-H2O]+ 174.09190 134.5
[M+HCOO]- 236.09284 161.6
[M+CH3COO]- 250.10849 178.8
[M+Na-2H]- 212.06931 144.2
[M]+ 191.09409 137.9
[M]- 191.09519 137.9
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

patents stripe