CID 198293

53473-85-1

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC2=C(C=C1N)C=NS2
InChI
InChI=1S/C7H6N2S/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2
InChIKey
LPUJHVNRGNTQPL-UHFFFAOYSA-N
Compound name
1,2-benzothiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

150.02516 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe