CID 305925

Prop-2-yn-1-yl methanesulfonate

Structural Information

Molecular Formula
C4H6O3S
SMILES
CS(=O)(=O)OCC#C
InChI
InChI=1S/C4H6O3S/c1-3-4-7-8(2,5)6/h1H,4H2,2H3
InChIKey
OWAHJGWVERXJMI-UHFFFAOYSA-N
Compound name
prop-2-ynyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1652
Patents

134.00377 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.01105 127.7
[M+Na]+ 156.99299 138.8
[M-H]- 132.99649 128.9
[M+NH4]+ 152.03759 148.0
[M+K]+ 172.96693 138.2
[M+H-H2O]+ 117.00103 117.9
[M+HCOO]- 179.00197 141.2
[M+CH3COO]- 193.01762 177.5
[M+Na-2H]- 154.97844 132.1
[M]+ 134.00322 126.7
[M]- 134.00432 126.7
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