CID 767450

4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
C1=CC(=C(C=C1O)O)C2=CSC(=N2)N
InChI
InChI=1S/C9H8N2O2S/c10-9-11-7(4-14-9)6-2-1-5(12)3-8(6)13/h1-4,12-13H,(H2,10,11)
InChIKey
JWBRZKPADMMQTN-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

208.03065 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.037926 140.9
[M+Na]+ 231.019868 151.0
[M-H]- 207.023374 144.7
[M+NH4]+ 226.064473 159.5
[M+K]+ 246.993808 146.2
[M+H-H2O]+ 191.027910 135.0
[M+HCOO]- 253.028851 159.2
[M+CH3COO]- 267.044501 153.9
[M+Na-2H]- 229.005316 142.6
[M]+ 208.03010142 140.6
[M]- 208.03119858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe