CID 3052197

F 1537

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CCN(C1)CCNC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H18N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h1-2,5-6H,3-4,7-10H2,(H,15,17)(H,18,19)
InChIKey
LGQWLXQUWODSNU-UHFFFAOYSA-N
Compound name
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.13174 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 160.7
[M+Na]+ 285.12096 164.5
[M-H]- 261.12446 164.0
[M+NH4]+ 280.16556 176.1
[M+K]+ 301.09490 161.7
[M+H-H2O]+ 245.12900 152.7
[M+HCOO]- 307.12994 180.2
[M+CH3COO]- 321.14559 194.4
[M+Na-2H]- 283.10641 161.2
[M]+ 262.13119 157.5
[M]- 262.13229 157.5
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