CID 6372315

4-methyl-1-phenyl-1,3-pentadiene

Structural Information

Molecular Formula

C₁₂H₁₄

SMILES

CC(=C/C=C/C1=CC=CC=C1)C

InChI

InChI=1S/C12H14/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-10H,1-2H3/b10-6+

InChIKey

ZVNDSQGHZLPKQV-UXBLZVDNSA-N

Compound name

[(1E)-4-methylpenta-1,3-dienyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.10954 Da
Monoisotopic Mass: 4.2
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]+	159.11682	135.3
[M+Na]+	181.09876	142.0
[M-H]-	157.10226	138.6
[M+NH4]+	176.14336	156.3
[M+K]+	197.07270	138.7
[M+H-H2O]+	141.10680	129.7
[M+HCOO]-	203.10774	158.4
[M+CH3COO]-	217.12339	178.3
[M+Na-2H]-	179.08421	140.9
[M]+	158.10899	134.1
[M]-	158.11009	134.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.