CID 679

Dimethyl sulfoxide

Structural Information

Molecular Formula

SMILES

CS(=O)C

InChI

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

InChIKey

IAZDPXIOMUYVGZ-UHFFFAOYSA-N

Compound name

methylsulfinylmethane

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 34818
References: 204715
Patents: 78.01394 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]+	79.021216	108.9
[M+Na]+	101.00316	117.9
[M-H]-	77.006664	110.3
[M+NH4]+	96.047763	133.8
[M+K]+	116.97710	118.1
[M+H-H2O]+	61.011200	105.1
[M+HCOO]-	123.01214	127.9
[M+CH3COO]-	137.02779	161.1
[M+Na-2H]-	98.988606	113.2
[M]+	78.013391	110.9
[M]-	78.014489	110.9

Literature stripe

literature stripe

Patent stripe

patents stripe