CID 110799

6177-60-2

Structural Information

Molecular Formula
C4H8O4S
SMILES
CS(=O)(=O)OCC1CO1
InChI
InChI=1S/C4H8O4S/c1-9(5,6)8-3-4-2-7-4/h4H,2-3H2,1H3
InChIKey
NCGARFWFKHNMJK-UHFFFAOYSA-N
Compound name
oxiran-2-ylmethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

152.01433 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02161 134.1
[M+Na]+ 175.00355 145.2
[M+NH4]+ 170.04815 141.9
[M+K]+ 190.97749 141.4
[M-H]- 151.00705 141.3
[M+Na-2H]- 172.98900 139.5
[M]+ 152.01378 139.1
[M]- 152.01488 139.1
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