CID 12896000

4-[(pyridin-4-yl)amino]benzoic acid hydrochloride

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC(=CC=C1C(=O)O)NC2=CC=NC=C2
InChI
InChI=1S/C12H10N2O2/c15-12(16)9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H,(H,13,14)(H,15,16)
InChIKey
OEWZQATXQINCCC-UHFFFAOYSA-N
Compound name
4-(pyridin-4-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

214.07423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 144.8
[M+Na]+ 237.06345 151.8
[M-H]- 213.06695 149.0
[M+NH4]+ 232.10805 160.6
[M+K]+ 253.03739 148.2
[M+H-H2O]+ 197.07149 136.8
[M+HCOO]- 259.07243 167.7
[M+CH3COO]- 273.08808 186.3
[M+Na-2H]- 235.04890 152.1
[M]+ 214.07368 143.0
[M]- 214.07478 143.0
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