CID 10909699

2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CC1(OCC(O1)C(=O)O)C
InChI
InChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)
InChIKey
OZPFVBLDYBXHAF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

780
Patents

146.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 125.9
[M+Na]+ 169.04712 133.8
[M-H]- 145.05062 129.7
[M+NH4]+ 164.09172 147.7
[M+K]+ 185.02106 136.1
[M+H-H2O]+ 129.05516 122.8
[M+HCOO]- 191.05610 145.9
[M+CH3COO]- 205.07175 169.5
[M+Na-2H]- 167.03257 132.6
[M]+ 146.05735 127.1
[M]- 146.05845 127.1
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