CID 853434

78086-72-3

Structural Information

Molecular Formula
C8H14O4
SMILES
C[C@H]1[C@@H](OC(O1)(C)C)C(=O)OC
InChI
InChI=1S/C8H14O4/c1-5-6(7(9)10-4)12-8(2,3)11-5/h5-6H,1-4H3/t5-,6+/m0/s1
InChIKey
AELKYRWKHKGMAD-NTSWFWBYSA-N
Compound name
methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

174.0892 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 133.1
[M+Na]+ 197.078418 141.6
[M-H]- 173.081924 138.5
[M+NH4]+ 192.123023 155.0
[M+K]+ 213.052358 144.4
[M+H-H2O]+ 157.086460 129.9
[M+HCOO]- 219.087401 154.0
[M+CH3COO]- 233.103051 178.6
[M+Na-2H]- 195.063866 138.8
[M]+ 174.08865142 137.2
[M]- 174.08974858 137.2
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