CID 11971259

Acetoin propyleneglycol ketal

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CC1COC(O1)(C)C(C)O

InChI

InChI=1S/C7H14O3/c1-5-4-9-7(3,10-5)6(2)8/h5-6,8H,4H2,1-3H3

InChIKey

ZLBNMXMVFWMHAV-UHFFFAOYSA-N

Compound name

1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 65
Patents: 146.0943 Da
Monoisotopic Mass: 0.2
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]+	147.10158	129.5
[M+Na]+	169.08352	138.9
[M+NH4]+	164.12812	138.6
[M+K]+	185.05746	135.8
[M-H]-	145.08702	132.0
[M+Na-2H]-	167.06897	133.2
[M]+	146.09375	131.5
[M]-	146.09485	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe