CID 3428135

Methyl(naphthalen-2-ylmethyl)sulfane

Structural Information

Molecular Formula

C₁₂H₁₂S

SMILES

CSCC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C12H12S/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3

InChIKey

CJDCACAMTBETRY-UHFFFAOYSA-N

Compound name

2-(methylsulfanylmethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 188.06598 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.07326	137.5
[M+Na]+	211.05520	152.8
[M+NH4]+	206.09980	149.0
[M+K]+	227.02914	141.7
[M-H]-	187.05870	142.4
[M+Na-2H]-	209.04065	146.3
[M]+	188.06543	141.9
[M]-	188.06653	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe