CID 89966

1,2-benzisothiazol-3-amine

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC=C2C(=C1)C(=NS2)N
InChI
InChI=1S/C7H6N2S/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
InChIKey
WIJQCPIRWXSWQG-UHFFFAOYSA-N
Compound name
1,2-benzothiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

604
Patents

150.02516 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.032436 124.3
[M+Na]+ 173.014378 136.0
[M-H]- 149.017884 128.5
[M+NH4]+ 168.058983 147.8
[M+K]+ 188.988318 132.4
[M+H-H2O]+ 133.022420 119.0
[M+HCOO]- 195.023361 145.8
[M+CH3COO]- 209.039011 139.6
[M+Na-2H]- 170.999826 130.9
[M]+ 150.02461142 126.3
[M]- 150.02570858 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