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

57
Patents

132.04225 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.049526 122.2
[M+Na]+ 155.031468 129.6
[M-H]- 131.034974 125.8
[M+NH4]+ 150.076073 144.2
[M+K]+ 171.005408 132.2
[M+H-H2O]+ 115.039510 118.9
[M+HCOO]- 177.040451 142.6
[M+CH3COO]- 191.056101 165.2
[M+Na-2H]- 153.016916 130.0
[M]+ 132.04170142 122.6
[M]- 132.04279858 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