CID 5706770

131534-70-8

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

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

InChI

InChI=1S/C12H14O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-8H,1-3H3/b5-4+

InChIKey

PBSWKUAPPIGTBQ-SNAWJCMRSA-N

Compound name

(E)-3-(2,4,6-trimethylphenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.10446 Da
Monoisotopic Mass: 2.9
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]+	175.11174	138.2
[M+Na]+	197.09368	152.5
[M+NH4]+	192.13828	147.0
[M+K]+	213.06762	144.6
[M-H]-	173.09718	140.8
[M+Na-2H]-	195.07913	145.0
[M]+	174.10391	141.0
[M]-	174.10501	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.