CID 3033174

60548-28-9

Structural Information

Molecular Formula

C₁₄H₁₆ClNO

SMILES

C/C(=C(/C)\C(=O)NC1CC1)/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9+

InChIKey

SDHSWSFAQOTVMR-MDZDMXLPSA-N

Compound name

(E)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 249.09204 Da
Monoisotopic Mass: 3.8
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]+	250.099316	150.6
[M+Na]+	272.081258	158.3
[M-H]-	248.084764	157.7
[M+NH4]+	267.125863	163.6
[M+K]+	288.055198	153.2
[M+H-H2O]+	232.089300	144.7
[M+HCOO]-	294.090241	168.6
[M+CH3COO]-	308.105891	198.8
[M+Na-2H]-	270.066706	152.7
[M]+	249.09149142	153.3
[M]-	249.09258858	153.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.