CID 12293058

Benzo[c]isothiazol-3-amine

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC2=C(SN=C2C=C1)N
InChI
InChI=1S/C7H6N2S/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,8H2
InChIKey
JSKJAICVFPRVHJ-UHFFFAOYSA-N
Compound name
2,1-benzothiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

150.02516 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 125.1
[M+Na]+ 173.01438 138.5
[M+NH4]+ 168.05898 135.6
[M+K]+ 188.98832 131.4
[M-H]- 149.01788 128.6
[M+Na-2H]- 170.99983 132.7
[M]+ 150.02461 128.5
[M]- 150.02571 128.5
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