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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.09648	135.0
[M+Na]+	197.07842	144.8
[M+NH4]+	192.12302	143.5
[M+K]+	213.05236	141.9
[M-H]-	173.08192	137.4
[M+Na-2H]-	195.06387	138.4
[M]+	174.08865	137.0
[M]-	174.08975	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe