CID 12607096

(1,2-benzothiazol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H8N2S
SMILES
C1=CC=C2C(=C1)C(=NS2)CN
InChI
InChI=1S/C8H8N2S/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5,9H2
InChIKey
OLCBZIWAXGUORO-UHFFFAOYSA-N
Compound name
1,2-benzothiazol-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.04082 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 129.6
[M+Na]+ 187.03004 142.7
[M+NH4]+ 182.07464 139.9
[M+K]+ 203.00398 135.4
[M-H]- 163.03354 133.0
[M+Na-2H]- 185.01549 136.9
[M]+ 164.04027 132.9
[M]- 164.04137 132.9
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

No patent data available for this compound.