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]+ 239.067116 147.8
[M+Na]+ 261.049058 157.6
[M-H]- 237.052564 150.9
[M+NH4]+ 256.093663 167.9
[M+K]+ 277.022998 152.3
[M+H-H2O]+ 221.057100 142.1
[M+HCOO]- 283.058041 161.2
[M+CH3COO]- 297.073691 160.3
[M+Na-2H]- 259.034506 149.4
[M]+ 238.05929142 151.6
[M]- 238.06038858 151.6
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.