CID 350414

2-(aminomethyl)-1,3-benzothiazole hydrochloride

Structural Information

Molecular Formula
C8H8N2S
SMILES
C1=CC=C2C(=C1)N=C(S2)CN
InChI
InChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
InChIKey
VLBUERZRFSORRZ-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

446
Patents

164.04082 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 128.8
[M+Na]+ 187.03004 140.1
[M-H]- 163.03354 132.8
[M+NH4]+ 182.07464 151.8
[M+K]+ 203.00398 136.3
[M+H-H2O]+ 147.03808 123.3
[M+HCOO]- 209.03902 150.0
[M+CH3COO]- 223.05467 143.7
[M+Na-2H]- 185.01549 134.9
[M]+ 164.04027 131.2
[M]- 164.04137 131.2
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