CID 89353

3,5-dimethyl-1,2-dioxolane-3,5-diol

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

CC1(CC(OO1)(C)O)O

InChI

InChI=1S/C5H10O4/c1-4(6)3-5(2,7)9-8-4/h6-7H,3H2,1-2H3

InChIKey

ODQWDBNAMVRLSR-UHFFFAOYSA-N

Compound name

3,5-dimethyldioxolane-3,5-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 72
Patents: 134.0579 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]+	135.065176	120.8
[M+Na]+	157.047118	129.6
[M-H]-	133.050624	123.7
[M+NH4]+	152.091723	144.5
[M+K]+	173.021058	131.5
[M+H-H2O]+	117.055160	118.9
[M+HCOO]-	179.056101	140.4
[M+CH3COO]-	193.071751	163.7
[M+Na-2H]-	155.032566	130.3
[M]+	134.05735142	121.6
[M]-	134.05844858	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe