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

160
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

literature stripe

Patent stripe

patents stripe