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

36
Patents

174.0892 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 133.1
[M+Na]+ 197.07842 141.6
[M-H]- 173.08192 138.5
[M+NH4]+ 192.12302 155.0
[M+K]+ 213.05236 144.4
[M+H-H2O]+ 157.08646 129.9
[M+HCOO]- 219.08740 154.0
[M+CH3COO]- 233.10305 178.6
[M+Na-2H]- 195.06387 138.8
[M]+ 174.08865 137.2
[M]- 174.08975 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