CID 8706

2-aminobenzothiazole

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC=C2C(=C1)N=C(S2)N
InChI
InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKey
UHGULLIUJBCTEF-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

125
References

11508
Patents

150.02516 Da
Monoisotopic Mass

1.9
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