CID 307242

N-allylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

InChI=1S/C10H11NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)

InChIKey

KJVRLFWTIGWXFK-UHFFFAOYSA-N

Compound name

N-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 557
Patents: 161.08406 Da
Monoisotopic Mass: 1.4
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	133.9
[M+Na]+	184.07328	140.5
[M-H]-	160.07678	137.4
[M+NH4]+	179.11788	154.3
[M+K]+	200.04722	138.0
[M+H-H2O]+	144.08132	127.9
[M+HCOO]-	206.08226	158.9
[M+CH3COO]-	220.09791	179.6
[M+Na-2H]-	182.05873	140.7
[M]+	161.08351	132.8
[M]-	161.08461	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe