CID 95233

2-(methanesulfonyloxy)acetic acid

Structural Information

Molecular Formula
C3H6O5S
SMILES
CS(=O)(=O)OCC(=O)O
InChI
InChI=1S/C3H6O5S/c1-9(6,7)8-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey
RRFDQGMDVFAAGT-UHFFFAOYSA-N
Compound name
2-methylsulfonyloxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

153.99359 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00087 125.3
[M+Na]+ 176.98281 133.7
[M-H]- 152.98631 124.9
[M+NH4]+ 172.02741 145.9
[M+K]+ 192.95675 133.4
[M+H-H2O]+ 136.99085 121.2
[M+HCOO]- 198.99179 142.2
[M+CH3COO]- 213.00744 167.9
[M+Na-2H]- 174.96826 129.7
[M]+ 153.99304 129.6
[M]- 153.99414 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe