CID 123554

Methanesulfenic acid

Structural Information

Molecular Formula

SMILES

CSO

InChI

InChI=1S/CH4OS/c1-3-2/h2H,1H3

InChIKey

VLGWYKOEXANHJT-UHFFFAOYSA-N

Compound name

hydroxysulfanylmethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2528
Patents: 63.998287 Da
Monoisotopic Mass: 0.0
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]+	65.005563	105.7
[M+Na]+	86.987505	114.6
[M-H]-	62.991011	105.7
[M+NH4]+	82.032110	130.4
[M+K]+	102.96144	114.3
[M+H-H2O]+	46.995547	102.2
[M+HCOO]-	108.99649	124.3
[M+CH3COO]-	123.01214	155.3
[M+Na-2H]-	84.972953	111.2
[M]+	63.997738	106.7
[M]-	63.998836	106.7

Literature stripe

literature stripe

Patent stripe

patents stripe