CID 5371802

(e)-3-(p-tolyl)acrylaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

CC1=CC=C(C=C1)/C=C/C=O

InChI

InChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+

InChIKey

DKOUYOVAEBQFHU-NSCUHMNNSA-N

Compound name

(E)-3-(4-methylphenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 672
Patents: 146.07317 Da
Monoisotopic Mass: 2.3
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	130.1
[M+Na]+	169.06239	144.0
[M+NH4]+	164.10699	139.2
[M+K]+	185.03633	136.2
[M-H]-	145.06589	132.7
[M+Na-2H]-	167.04784	137.9
[M]+	146.07262	132.8
[M]-	146.07372	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe