CID 5314268

Naphthalen-2-ylmethanethiol

Structural Information

Molecular Formula

C₁₁H₁₀S

SMILES

C1=CC=C2C=C(C=CC2=C1)CS

InChI

InChI=1S/C11H10S/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2

InChIKey

ZSRQBQCAUQRBPS-UHFFFAOYSA-N

Compound name

naphthalen-2-ylmethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 492
Patents: 174.05032 Da
Monoisotopic Mass: 3.2
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]+	175.05760	133.0
[M+Na]+	197.03954	148.5
[M+NH4]+	192.08414	144.7
[M+K]+	213.01348	137.6
[M-H]-	173.04304	138.0
[M+Na-2H]-	195.02499	142.0
[M]+	174.04977	137.4
[M]-	174.05087	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe