CID 68288

6-aminobenzothiazole

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC2=C(C=C1N)SC=N2
InChI
InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
InChIKey
FAYAYUOZWYJNBD-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1956
Patents

150.02516 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 124.3
[M+Na]+ 173.01438 136.0
[M-H]- 149.01788 128.5
[M+NH4]+ 168.05898 147.8
[M+K]+ 188.98832 132.4
[M+H-H2O]+ 133.02242 119.0
[M+HCOO]- 195.02336 145.8
[M+CH3COO]- 209.03901 139.6
[M+Na-2H]- 170.99983 130.9
[M]+ 150.02461 126.3
[M]- 150.02571 126.3
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