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

48
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 123.8
[M+Na]+ 155.03147 132.8
[M+NH4]+ 150.07607 132.4
[M+K]+ 171.00541 130.4
[M-H]- 131.03497 125.5
[M+Na-2H]- 153.01692 127.6
[M]+ 132.04170 125.4
[M]- 132.04280 125.4
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

patents stripe