CID 24057

2-amino-4-hydroxybenzothiazole

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1=CC(=C2C(=C1)SC(=N2)N)O
InChI
InChI=1S/C7H6N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H,(H2,8,9)
InChIKey
PFQJPSASUCHKRO-UHFFFAOYSA-N
Compound name
2-amino-1,3-benzothiazol-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

223
Patents

166.02008 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 128.1
[M+Na]+ 189.009298 140.0
[M-H]- 165.012804 131.1
[M+NH4]+ 184.053903 150.4
[M+K]+ 204.983238 135.9
[M+H-H2O]+ 149.017340 123.1
[M+HCOO]- 211.018281 148.2
[M+CH3COO]- 225.033931 142.8
[M+Na-2H]- 186.994746 133.6
[M]+ 166.01953142 130.0
[M]- 166.02062858 130.0
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