CID 10285823

Methyl p-toluenesulfinate

Structural Information

Molecular Formula

C₈H₁₀O₂S

SMILES

CC1=CC=C(C=C1)S(=O)OC

InChI

InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(9)10-2/h3-6H,1-2H3

InChIKey

MGPLBSPZSIFUQX-UHFFFAOYSA-N

Compound name

methyl 4-methylbenzenesulfinate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 170.04015 Da
Monoisotopic Mass: 1.8
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]+	171.04743	133.0
[M+Na]+	193.02937	145.7
[M+NH4]+	188.07397	142.2
[M+K]+	209.00331	137.8
[M-H]-	169.03287	135.3
[M+Na-2H]-	191.01482	139.5
[M]+	170.03960	135.9
[M]-	170.04070	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe