CID 355326

1,3-dioxolane-2-carboxylic acid

Structural Information

Molecular Formula
C4H6O4
SMILES
C1COC(O1)C(=O)O
InChI
InChI=1S/C4H6O4/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6)
InChIKey
NXUBLCILQTXVGB-UHFFFAOYSA-N
Compound name
1,3-dioxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

118.02661 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 118.9
[M+Na]+ 141.01583 125.7
[M-H]- 117.01933 122.3
[M+NH4]+ 136.06043 139.4
[M+K]+ 156.98977 128.3
[M+H-H2O]+ 101.02387 114.7
[M+HCOO]- 163.02481 139.5
[M+CH3COO]- 177.04046 162.6
[M+Na-2H]- 139.00128 125.8
[M]+ 118.02606 118.5
[M]- 118.02716 118.5
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.