CID 14341

1135-70-2

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CCC1(OCC(O1)CO)C2=CC=CC=C2

InChI

InChI=1S/C12H16O3/c1-2-12(10-6-4-3-5-7-10)14-9-11(8-13)15-12/h3-7,11,13H,2,8-9H2,1H3

InChIKey

MNDLRZFXJPXXCG-UHFFFAOYSA-N

Compound name

(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.10994 Da
Monoisotopic Mass: 1.4
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]+	209.11722	145.0
[M+Na]+	231.09916	156.8
[M+NH4]+	226.14376	154.7
[M+K]+	247.07310	151.3
[M-H]-	207.10266	150.5
[M+Na-2H]-	229.08461	152.0
[M]+	208.10939	148.4
[M]-	208.11049	148.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.