CID 3033179

Cinnamamide, n-allyl-alpha,beta-dimethyl-4-methyl-, (e)-

Structural Information

Molecular Formula

C₁₅H₁₉NO

SMILES

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

InChI

InChI=1S/C15H19NO/c1-5-10-16-15(17)13(4)12(3)14-8-6-11(2)7-9-14/h5-9H,1,10H2,2-4H3,(H,16,17)/b13-12+

InChIKey

USSPLFGFHXEMPX-OUKQBFOZSA-N

Compound name

(E)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 229.14667 Da
Monoisotopic Mass: 3.6
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]+	230.153946	155.7
[M+Na]+	252.135888	160.9
[M-H]-	228.139394	158.9
[M+NH4]+	247.180493	173.4
[M+K]+	268.109828	157.6
[M+H-H2O]+	212.143930	149.3
[M+HCOO]-	274.144871	177.1
[M+CH3COO]-	288.160521	196.1
[M+Na-2H]-	250.121336	156.6
[M]+	229.14612142	154.7
[M]-	229.14721858	154.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.