CID 5368760

17645-30-6

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C/C=C/C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C10H11NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h2-8H,1H3,(H,11,12)/b6-2+

InChIKey

BZSYYMAHNJHZCB-QHHAFSJGSA-N

Compound name

(E)-N-phenylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 105
Patents: 161.08406 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]+	162.09134	134.2
[M+Na]+	184.07328	140.8
[M-H]-	160.07678	137.7
[M+NH4]+	179.11788	154.6
[M+K]+	200.04722	138.4
[M+H-H2O]+	144.08132	128.2
[M+HCOO]-	206.08226	159.1
[M+CH3COO]-	220.09791	178.9
[M+Na-2H]-	182.05873	140.9
[M]+	161.08351	132.9
[M]-	161.08461	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe