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

285
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 126.5
[M+Na]+ 175.00355 136.9
[M-H]- 151.00705 132.4
[M+NH4]+ 170.04815 142.1
[M+K]+ 190.97749 136.8
[M+H-H2O]+ 135.01159 120.9
[M+HCOO]- 197.01253 144.8
[M+CH3COO]- 211.02818 173.8
[M+Na-2H]- 172.98900 133.4
[M]+ 152.01378 134.5
[M]- 152.01488 134.5
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