CID 11378578

But-3-yn-1-yl methanesulfonate

Structural Information

Molecular Formula
C5H8O3S
SMILES
CS(=O)(=O)OCCC#C
InChI
InChI=1S/C5H8O3S/c1-3-4-5-8-9(2,6)7/h1H,4-5H2,2H3
InChIKey
APJYYFNGGGLDJF-UHFFFAOYSA-N
Compound name
but-3-ynyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

148.01941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02669 124.9
[M+Na]+ 171.00863 134.4
[M+NH4]+ 166.05323 128.7
[M+K]+ 186.98257 126.0
[M-H]- 147.01213 115.5
[M+Na-2H]- 168.99408 125.4
[M]+ 148.01886 123.0
[M]- 148.01996 123.0
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