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

279
Patents

152.01433 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.021606 126.5
[M+Na]+ 175.003548 136.9
[M-H]- 151.007054 132.4
[M+NH4]+ 170.048153 142.1
[M+K]+ 190.977488 136.8
[M+H-H2O]+ 135.011590 120.9
[M+HCOO]- 197.012531 144.8
[M+CH3COO]- 211.028181 173.8
[M+Na-2H]- 172.988996 133.4
[M]+ 152.01378142 134.5
[M]- 152.01487858 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