CID 5371820

N-allylcinnamamide

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

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

InChI

InChI=1S/C12H13NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2,(H,13,14)/b9-8+

InChIKey

KWZIWIMLISNPLJ-CMDGGOBGSA-N

Compound name

(E)-3-phenyl-N-prop-2-enylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 187.09972 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]+	188.10700	142.1
[M+Na]+	210.08894	148.1
[M-H]-	186.09244	145.3
[M+NH4]+	205.13354	161.4
[M+K]+	226.06288	144.6
[M+H-H2O]+	170.09698	135.8
[M+HCOO]-	232.09792	166.6
[M+CH3COO]-	246.11357	184.1
[M+Na-2H]-	208.07439	147.8
[M]+	187.09917	140.9
[M]-	187.10027	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe