CID 14530204

2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
CC1C(OC(O1)(C)C)(C)C(=O)O
InChI
InChI=1S/C8H14O4/c1-5-8(4,6(9)10)12-7(2,3)11-5/h5H,1-4H3,(H,9,10)
InChIKey
UQNTZJDBGGGJQK-UHFFFAOYSA-N
Compound name
2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 130.9
[M+Na]+ 197.07842 139.9
[M-H]- 173.08192 135.2
[M+NH4]+ 192.12302 154.0
[M+K]+ 213.05236 142.0
[M+H-H2O]+ 157.08646 129.1
[M+HCOO]- 219.08740 150.3
[M+CH3COO]- 233.10305 176.6
[M+Na-2H]- 195.06387 137.7
[M]+ 174.08865 133.8
[M]- 174.08975 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