CID 58512812

Methanesulfonylethyne

Structural Information

Molecular Formula
C3H4O2S
SMILES
CS(=O)(=O)C#C
InChI
InChI=1S/C3H4O2S/c1-3-6(2,4)5/h1H,2H3
InChIKey
IZWZWYRYNFFHPP-UHFFFAOYSA-N
Compound name
1-methylsulfonylethyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

103.9932 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.000476 121.3
[M+Na]+ 126.982418 132.9
[M-H]- 102.985924 122.7
[M+NH4]+ 122.027023 142.7
[M+K]+ 142.956358 132.1
[M+H-H2O]+ 86.990460 111.8
[M+HCOO]- 148.991401 134.8
[M+CH3COO]- 163.007051 173.0
[M+Na-2H]- 124.967866 125.9
[M]+ 103.99265142 118.6
[M]- 103.99374858 118.6
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