CID 57663

Benzamide, o-heptyloxy-

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCCCCCCOC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C14H21NO2/c1-2-3-4-5-8-11-17-13-10-7-6-9-12(13)14(15)16/h6-7,9-10H,2-5,8,11H2,1H3,(H2,15,16)

InChIKey

IQXXUMKLTPIHNP-UHFFFAOYSA-N

Compound name

2-heptoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.15723 Da
Monoisotopic Mass: 3.7
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]+	236.16451	156.9
[M+Na]+	258.14645	162.1
[M-H]-	234.14995	159.3
[M+NH4]+	253.19105	174.2
[M+K]+	274.12039	159.5
[M+H-H2O]+	218.15449	149.9
[M+HCOO]-	280.15543	179.8
[M+CH3COO]-	294.17108	195.8
[M+Na-2H]-	256.13190	159.6
[M]+	235.15668	158.7
[M]-	235.15778	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe