CID 155858362

Methyl({2-[(methylsulfanyl)methyl]phenyl}methyl)amine hydrochloride

Structural Information

Molecular Formula
C10H15NS
SMILES
CNCC1=CC=CC=C1CSC
InChI
InChI=1S/C10H15NS/c1-11-7-9-5-3-4-6-10(9)8-12-2/h3-6,11H,7-8H2,1-2H3
InChIKey
VLKBZNIFAMSBGG-UHFFFAOYSA-N
Compound name
N-methyl-1-[2-(methylsulfanylmethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.099786 137.7
[M+Na]+ 204.081728 145.0
[M-H]- 180.085234 141.5
[M+NH4]+ 199.126333 158.4
[M+K]+ 220.055668 141.7
[M+H-H2O]+ 164.089770 131.7
[M+HCOO]- 226.090711 157.6
[M+CH3COO]- 240.106361 184.2
[M+Na-2H]- 202.067176 141.7
[M]+ 181.09196142 139.7
[M]- 181.09305858 139.7
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.