CID 12614248

33868-51-8

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

C1COC(O1)(CO)C2=CC=CC=C2

InChI

InChI=1S/C10H12O3/c11-8-10(12-6-7-13-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2

InChIKey

YUUFLSYPPSEURX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 180.07864 Da
Monoisotopic Mass: 0.5
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]+	181.08592	135.9
[M+Na]+	203.06786	142.7
[M-H]-	179.07136	142.4
[M+NH4]+	198.11246	155.9
[M+K]+	219.04180	143.2
[M+H-H2O]+	163.07590	130.8
[M+HCOO]-	225.07684	156.8
[M+CH3COO]-	239.09249	173.8
[M+Na-2H]-	201.05331	144.1
[M]+	180.07809	135.5
[M]-	180.07919	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe