CID 679

Dimethyl sulfoxide

Structural Information

Molecular Formula
C2H6OS
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
9
Annotation Hits

34813
References

204715
Patents

78.01394 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 79.021216 111.6
[M+Na]+ 101.00316 122.5
[M+NH4]+ 96.047763 121.0
[M+K]+ 116.97710 115.7
[M-H]- 77.006664 111.8
[M+Na-2H]- 98.988606 115.7
[M]+ 78.013391 113.6
[M]- 78.014489 113.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe