CID 138040479

4-amino-3-(1,3-thiazol-2-yl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC(=C(C=C1C(=O)O)C2=NC=CS2)N
InChI
InChI=1S/C10H8N2O2S/c11-8-2-1-6(10(13)14)5-7(8)9-12-3-4-15-9/h1-5H,11H2,(H,13,14)
InChIKey
HLFRJPGSMKGOMQ-UHFFFAOYSA-N
Compound name
4-amino-3-(1,3-thiazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03065 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.037926 145.2
[M+Na]+ 243.019868 154.4
[M-H]- 219.023374 150.0
[M+NH4]+ 238.064473 163.5
[M+K]+ 258.993808 150.2
[M+H-H2O]+ 203.027910 138.7
[M+HCOO]- 265.028851 163.9
[M+CH3COO]- 279.044501 184.4
[M+Na-2H]- 241.005316 146.4
[M]+ 220.03010142 145.4
[M]- 220.03119858 145.4
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.