CID 2049894

2-amino-4,7-dimethylbenzothiazole

Structural Information

Molecular Formula
C9H10N2S
SMILES
CC1=C2C(=C(C=C1)C)SC(=N2)N
InChI
InChI=1S/C9H10N2S/c1-5-3-4-6(2)8-7(5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11)
InChIKey
FHUBACQXVCSGNR-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

45
Patents

178.05647 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 133.7
[M+Na]+ 201.045688 146.2
[M-H]- 177.049194 138.2
[M+NH4]+ 196.090293 156.6
[M+K]+ 217.019628 142.1
[M+H-H2O]+ 161.053730 128.4
[M+HCOO]- 223.054671 154.4
[M+CH3COO]- 237.070321 148.7
[M+Na-2H]- 199.031136 137.7
[M]+ 178.05592142 137.2
[M]- 178.05701858 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

literature stripe

Patent stripe

patents stripe