CID 22022690

21156-91-2

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: 43
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	127.9
[M+Na]+	169.06239	136.5
[M-H]-	145.06589	131.8
[M+NH4]+	164.10699	149.6
[M+K]+	185.03633	133.8
[M+H-H2O]+	129.07043	122.6
[M+HCOO]-	191.07137	152.9
[M+CH3COO]-	205.08702	175.8
[M+Na-2H]-	167.04784	135.1
[M]+	146.07262	128.7
[M]-	146.07372	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe