CID 853165

60456-21-5

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

CC1(OC[C@H](O1)C(=O)OC)C

InChI

InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m0/s1

InChIKey

DOWWCCDWPKGNGX-YFKPBYRVSA-N

Compound name

methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 351
Patents: 160.07356 Da
Monoisotopic Mass: 0.4
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]+	161.08084	131.4
[M+Na]+	183.06278	140.9
[M+NH4]+	178.10738	140.0
[M+K]+	199.03672	138.0
[M-H]-	159.06628	133.7
[M+Na-2H]-	181.04823	135.1
[M]+	160.07301	133.3
[M]-	160.07411	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe