CID 15326005

N-methyl-3-(methylsulfanyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H11NS
SMILES
CNC1=CC(=CC=C1)SC
InChI
InChI=1S/C8H11NS/c1-9-7-4-3-5-8(6-7)10-2/h3-6,9H,1-2H3
InChIKey
HCBMXZNWPDLTKP-UHFFFAOYSA-N
Compound name
N-methyl-3-methylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

153.06122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 128.8
[M+Na]+ 176.050438 137.0
[M-H]- 152.053944 133.0
[M+NH4]+ 171.095043 150.5
[M+K]+ 192.024378 134.2
[M+H-H2O]+ 136.058480 123.2
[M+HCOO]- 198.059421 149.3
[M+CH3COO]- 212.075071 178.1
[M+Na-2H]- 174.035886 133.8
[M]+ 153.06067142 130.1
[M]- 153.06176858 130.1
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

patents stripe