CID 146754

2-oxopropyl methanesulfonate

Structural Information

Molecular Formula
C4H8O4S
SMILES
CC(=O)COS(=O)(=O)C
InChI
InChI=1S/C4H8O4S/c1-4(5)3-8-9(2,6)7/h3H2,1-2H3
InChIKey
OJFOKJDIGADHQG-UHFFFAOYSA-N
Compound name
2-oxopropyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

152.01433 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.021606 126.1
[M+Na]+ 175.003548 134.8
[M-H]- 151.007054 127.1
[M+NH4]+ 170.048153 147.7
[M+K]+ 190.977488 134.7
[M+H-H2O]+ 135.011590 121.9
[M+HCOO]- 197.012531 144.0
[M+CH3COO]- 211.028181 171.5
[M+Na-2H]- 172.988996 130.4
[M]+ 152.01378142 131.3
[M]- 152.01487858 131.3
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