CID 24706954

2-(2-methoxyethanesulfonyl)acetic acid

Structural Information

Molecular Formula
C5H10O5S
SMILES
COCCS(=O)(=O)CC(=O)O
InChI
InChI=1S/C5H10O5S/c1-10-2-3-11(8,9)4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey
FHKVYASZVLDEGU-UHFFFAOYSA-N
Compound name
2-(2-methoxyethylsulfonyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02489 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03217 134.3
[M+Na]+ 205.01411 141.9
[M-H]- 181.01761 133.6
[M+NH4]+ 200.05871 153.8
[M+K]+ 220.98805 141.1
[M+H-H2O]+ 165.02215 129.9
[M+HCOO]- 227.02309 150.6
[M+CH3COO]- 241.03874 173.9
[M+Na-2H]- 202.99956 137.8
[M]+ 182.02434 139.4
[M]- 182.02544 139.4
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

No patent data available for this compound.