CID 22022690

3-allylbenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C=CCC1=CC(=CC=C1)C=O

InChI

InChI=1S/C10H10O/c1-2-4-9-5-3-6-10(7-9)8-11/h2-3,5-8H,1,4H2

InChIKey

KUEDNSFBFPTFIA-UHFFFAOYSA-N

Compound name

3-prop-2-enylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 146.07317 Da
Monoisotopic Mass: 2.7
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]+	147.08045	130.0
[M+Na]+	169.06239	143.9
[M+NH4]+	164.10699	139.0
[M+K]+	185.03633	136.0
[M-H]-	145.06589	132.5
[M+Na-2H]-	167.04784	137.8
[M]+	146.07262	132.7
[M]-	146.07372	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe