CID 67255291

57672-00-1

Structural Information

Molecular Formula
C8H14O4
SMILES
CC1(C(OC(O1)(C)C)C(=O)O)C
InChI
InChI=1S/C8H14O4/c1-7(2)5(6(9)10)11-8(3,4)12-7/h5H,1-4H3,(H,9,10)
InChIKey
DJEUAAXKJCIEQT-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

174.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 130.9
[M+Na]+ 197.078418 139.9
[M-H]- 173.081924 135.2
[M+NH4]+ 192.123023 154.0
[M+K]+ 213.052358 142.0
[M+H-H2O]+ 157.086460 129.1
[M+HCOO]- 219.087401 150.3
[M+CH3COO]- 233.103051 176.6
[M+Na-2H]- 195.063866 137.7
[M]+ 174.08865142 133.8
[M]- 174.08974858 133.8
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