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]+ 204.07675 141.1
[M+Na]+ 226.05869 148.8
[M-H]- 202.06219 144.4
[M+NH4]+ 221.10329 157.9
[M+K]+ 242.03263 145.8
[M+H-H2O]+ 186.06673 132.9
[M+HCOO]- 248.06767 164.2
[M+CH3COO]- 262.08332 182.8
[M+Na-2H]- 224.04414 147.0
[M]+ 203.06892 139.9
[M]- 203.07002 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.