CID 155858362

2580214-93-1

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 138.9
[M+Na]+ 204.08173 151.2
[M+NH4]+ 199.12633 148.8
[M+K]+ 220.05567 141.4
[M-H]- 180.08523 142.8
[M+Na-2H]- 202.06718 146.0
[M]+ 181.09196 142.3
[M]- 181.09306 142.3
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.