CID 667586

4,5-dimethyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C9H10N2S
SMILES
CC1=C(C2=C(C=C1)SC(=N2)N)C
InChI
InChI=1S/C9H10N2S/c1-5-3-4-7-8(6(5)2)11-9(10)12-7/h3-4H,1-2H3,(H2,10,11)
InChIKey
ZAJVZJPXCSIEQP-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

178.05647 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06375 134.8
[M+Na]+ 201.04569 148.5
[M+NH4]+ 196.09029 145.0
[M+K]+ 217.01963 141.3
[M-H]- 177.04919 138.3
[M+Na-2H]- 199.03114 141.3
[M]+ 178.05592 138.3
[M]- 178.05702 138.3
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

patents stripe