CID 6449394

(e,e)-6-phenyl-2,4-hexadienamide

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

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

InChI

InChI=1S/C12H13NO/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1-8,10H,9H2,(H2,13,14)/b5-2+,10-6+

InChIKey

ZLGUPZHJSPVACC-SUWMZURFSA-N

Compound name

(2E,4E)-6-phenylhexa-2,4-dienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.09972 Da
Monoisotopic Mass: 2.2
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]+	188.10700	142.7
[M+Na]+	210.08894	148.8
[M-H]-	186.09244	145.3
[M+NH4]+	205.13354	161.7
[M+K]+	226.06288	144.8
[M+H-H2O]+	170.09698	136.4
[M+HCOO]-	232.09792	166.5
[M+CH3COO]-	246.11357	183.4
[M+Na-2H]-	208.07439	147.3
[M]+	187.09917	140.5
[M]-	187.10027	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe