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]+ 182.09979 137.7
[M+Na]+ 204.08173 145.0
[M-H]- 180.08523 141.5
[M+NH4]+ 199.12633 158.4
[M+K]+ 220.05567 141.7
[M+H-H2O]+ 164.08977 131.7
[M+HCOO]- 226.09071 157.6
[M+CH3COO]- 240.10636 184.2
[M+Na-2H]- 202.06718 141.7
[M]+ 181.09196 139.7
[M]- 181.09306 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.