CID 16227071

1-(1,3-benzothiazol-2-yl)-3-(methylsulfanyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H14N2S2
SMILES
CSCCC(C1=NC2=CC=CC=C2S1)N
InChI
InChI=1S/C11H14N2S2/c1-14-7-6-8(12)11-13-9-4-2-3-5-10(9)15-11/h2-5,8H,6-7,12H2,1H3
InChIKey
SODBMUXNXHHPIC-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05984 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06712 147.9
[M+Na]+ 261.04906 159.2
[M+NH4]+ 256.09366 157.7
[M+K]+ 277.02300 150.3
[M-H]- 237.05256 151.1
[M+Na-2H]- 259.03451 153.1
[M]+ 238.05929 151.3
[M]- 238.06039 151.3
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

No patent data available for this compound.