CID 2049894

78584-08-4

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

42
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

literature stripe

Patent stripe

patents stripe