CID 298859

2-methyl-1,3-dioxolane-2-carboxylic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
CC1(OCCO1)C(=O)O
InChI
InChI=1S/C5H8O4/c1-5(4(6)7)8-2-3-9-5/h2-3H2,1H3,(H,6,7)
InChIKey
ZHGDCOBQAGUTIW-UHFFFAOYSA-N
Compound name
2-methyl-1,3-dioxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

132.04225 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 122.2
[M+Na]+ 155.03147 129.6
[M-H]- 131.03497 125.8
[M+NH4]+ 150.07607 144.2
[M+K]+ 171.00541 132.2
[M+H-H2O]+ 115.03951 118.9
[M+HCOO]- 177.04045 142.6
[M+CH3COO]- 191.05610 165.2
[M+Na-2H]- 153.01692 130.0
[M]+ 132.04170 122.6
[M]- 132.04280 122.6
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