CID 5363896

4-methyl-2-phenyl-2-pentenal

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

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

InChI

InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+

InChIKey

ULRYRAHIBWLZKC-XYOKQWHBSA-N

Compound name

(Z)-4-methyl-2-phenylpent-2-enal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 418
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	140.0
[M+Na]+	197.09368	152.4
[M+NH4]+	192.13828	148.4
[M+K]+	213.06762	145.5
[M-H]-	173.09718	142.0
[M+Na-2H]-	195.07913	146.6
[M]+	174.10391	142.2
[M]-	174.10501	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe