CID 53878721

Ethanesulfinamide

Structural Information

Molecular Formula

SMILES

CCS(=O)N

InChI

InChI=1S/C2H7NOS/c1-2-5(3)4/h2-3H2,1H3

InChIKey

HIGURQRYZKCDQF-UHFFFAOYSA-N

Compound name

ethanesulfinamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 248
Patents: 93.02483 Da
Monoisotopic Mass: -0.6
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]+	94.032106	115.3
[M+Na]+	116.01405	124.5
[M+NH4]+	111.05865	123.9
[M+K]+	131.98799	118.4
[M-H]-	92.017554	115.3
[M+Na-2H]-	113.99950	118.6
[M]+	93.024281	116.8
[M]-	93.025379	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe