CID 3077480

Benzenemethanamine, n,n-dimethyl-2-(2-thienylthio)-, hydrochloride

Structural Information

Molecular Formula
C13H15NS2
SMILES
CN(C)CC1=CC=CC=C1SC2=CC=CS2
InChI
InChI=1S/C13H15NS2/c1-14(2)10-11-6-3-4-7-12(11)16-13-8-5-9-15-13/h3-9H,10H2,1-2H3
InChIKey
JBJBCJBHUSKIBL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2-thiophen-2-ylsulfanylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06459 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07187 152.8
[M+Na]+ 272.05381 164.9
[M+NH4]+ 267.09841 163.5
[M+K]+ 288.02775 155.0
[M-H]- 248.05731 158.9
[M+Na-2H]- 270.03926 160.8
[M]+ 249.06404 157.3
[M]- 249.06514 157.3
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.