CID 12385577

40671-34-9

Structural Information

Molecular Formula
C5H10O3S
SMILES
CS(=O)(=O)OCCC=C
InChI
InChI=1S/C5H10O3S/c1-3-4-5-8-9(2,6)7/h3H,1,4-5H2,2H3
InChIKey
GOCDQBNHYFYQAW-UHFFFAOYSA-N
Compound name
but-3-enyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

150.03506 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04234 127.7
[M+Na]+ 173.02428 136.4
[M-H]- 149.02778 128.6
[M+NH4]+ 168.06888 149.6
[M+K]+ 188.99822 135.2
[M+H-H2O]+ 133.03232 123.5
[M+HCOO]- 195.03326 146.2
[M+CH3COO]- 209.04891 171.6
[M+Na-2H]- 171.00973 132.5
[M]+ 150.03451 132.5
[M]- 150.03561 132.5
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