CID 21895

Phenylacetaldehyde glyceryl acetal

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C1C(OC(O1)CC2=CC=CC=C2)CO

InChI

InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChIKey

ZPENOSKWEKGDCX-UHFFFAOYSA-N

Compound name

(2-benzyl-1,3-dioxolan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 414
Patents: 194.0943 Da
Monoisotopic Mass: 1.2
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]+	195.10158	140.9
[M+Na]+	217.08352	147.3
[M-H]-	193.08702	147.2
[M+NH4]+	212.12812	158.6
[M+K]+	233.05746	147.2
[M+H-H2O]+	177.09156	135.2
[M+HCOO]-	239.09250	161.5
[M+CH3COO]-	253.10815	178.4
[M+Na-2H]-	215.06897	146.7
[M]+	194.09375	140.9
[M]-	194.09485	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe