CID 561179

124019-21-2

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CC1C(OC(O1)(C)C)COCC2=CC=CC=C2

InChI

InChI=1S/C14H20O3/c1-11-13(17-14(2,3)16-11)10-15-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3

InChIKey

DUZGYPMPHGHLIH-UHFFFAOYSA-N

Compound name

2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 236.14125 Da
Monoisotopic Mass: 2.3
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]+	237.14853	152.7
[M+Na]+	259.13047	165.1
[M+NH4]+	254.17507	162.5
[M+K]+	275.10441	159.0
[M-H]-	235.13397	158.7
[M+Na-2H]-	257.11592	159.6
[M]+	236.14070	156.4
[M]-	236.14180	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe