CID 84488

2-allyloxybenzamide

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C=CCOC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C10H11NO2/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H2,11,12)

InChIKey

FZEIWORKISALCO-UHFFFAOYSA-N

Compound name

2-prop-2-enoxybenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 177.07898 Da
Monoisotopic Mass: 1.5
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]+	178.086256	137.0
[M+Na]+	200.068198	144.3
[M-H]-	176.071704	140.2
[M+NH4]+	195.112803	156.5
[M+K]+	216.042138	142.0
[M+H-H2O]+	160.076240	130.9
[M+HCOO]-	222.077181	161.5
[M+CH3COO]-	236.092831	182.8
[M+Na-2H]-	198.053646	141.9
[M]+	177.07843142	136.7
[M]-	177.07952858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe