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

31
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 133.7
[M+Na]+ 201.04569 146.2
[M-H]- 177.04919 138.2
[M+NH4]+ 196.09029 156.6
[M+K]+ 217.01963 142.1
[M+H-H2O]+ 161.05373 128.4
[M+HCOO]- 223.05467 154.4
[M+CH3COO]- 237.07032 148.7
[M+Na-2H]- 199.03114 137.7
[M]+ 178.05592 137.2
[M]- 178.05702 137.2
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