CID 45089636

4-[(1h-imidazol-1-yl)amino]benzoic acid hydrochloride

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC(=CC=C1C(=O)O)NN2C=CN=C2
InChI
InChI=1S/C10H9N3O2/c14-10(15)8-1-3-9(4-2-8)12-13-6-5-11-7-13/h1-7,12H,(H,14,15)
InChIKey
QJNUMRRZLAHOJJ-UHFFFAOYSA-N
Compound name
4-(imidazol-1-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 141.1
[M+Na]+ 226.058688 148.8
[M-H]- 202.062194 144.4
[M+NH4]+ 221.103293 157.9
[M+K]+ 242.032628 145.8
[M+H-H2O]+ 186.066730 132.9
[M+HCOO]- 248.067671 164.2
[M+CH3COO]- 262.083321 182.8
[M+Na-2H]- 224.044136 147.0
[M]+ 203.06892142 139.9
[M]- 203.07001858 139.9
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

No patent data available for this compound.