CID 10975423

Methanesulfinyl-acetonitrile

Structural Information

Molecular Formula

SMILES

CS(=O)CC#N

InChI

InChI=1S/C3H5NOS/c1-6(5)3-2-4/h3H2,1H3

InChIKey

PDYQATNUIZPQSW-UHFFFAOYSA-N

Compound name

2-methylsulfinylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 103.009186 Da
Monoisotopic Mass: -0.7
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]+	104.01646	114.5
[M+Na]+	125.99840	124.5
[M+NH4]+	121.04301	119.8
[M+K]+	141.97234	115.4
[M-H]-	102.00191	107.4
[M+Na-2H]-	123.98385	116.4
[M]+	103.00864	113.3
[M]-	103.00973	113.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe