CID 496155

2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid

Structural Information

Molecular Formula
C7H10O6
SMILES
CC1(OC(C(O1)C(=O)O)C(=O)O)C
InChI
InChI=1S/C7H10O6/c1-7(2)12-3(5(8)9)4(13-7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKey
ZJRYLTPWHABKIT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

190.04774 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05502 134.5
[M+Na]+ 213.03696 142.3
[M-H]- 189.04046 137.2
[M+NH4]+ 208.08156 153.8
[M+K]+ 229.01090 144.4
[M+H-H2O]+ 173.04500 131.6
[M+HCOO]- 235.04594 152.2
[M+CH3COO]- 249.06159 175.9
[M+Na-2H]- 211.02241 138.8
[M]+ 190.04719 136.3
[M]- 190.04829 136.3
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