CID 9855723

26278-82-0

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CC1=CC(=C(C2=C1N=C(S2)N)C)O
InChI
InChI=1S/C9H10N2OS/c1-4-3-6(12)5(2)8-7(4)11-9(10)13-8/h3,12H,1-2H3,(H2,10,11)
InChIKey
RUTNKAMSWIPHJW-UHFFFAOYSA-N
Compound name
2-amino-4,7-dimethyl-1,3-benzothiazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

194.05139 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 137.5
[M+Na]+ 217.04061 150.1
[M-H]- 193.04411 140.9
[M+NH4]+ 212.08521 159.2
[M+K]+ 233.01455 145.6
[M+H-H2O]+ 177.04865 132.6
[M+HCOO]- 239.04959 156.8
[M+CH3COO]- 253.06524 151.9
[M+Na-2H]- 215.02606 140.6
[M]+ 194.05084 140.9
[M]- 194.05194 140.9
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