CID 3041675

O-methylcaprylanilide

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CCCCCCCC(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C15H23NO/c1-3-4-5-6-7-12-15(17)16-14-11-9-8-10-13(14)2/h8-11H,3-7,12H2,1-2H3,(H,16,17)

InChIKey

RZCOIEXJPRQABI-UHFFFAOYSA-N

Compound name

N-(2-methylphenyl)octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 233.17796 Da
Monoisotopic Mass: 3.9
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]+	234.18524	158.0
[M+Na]+	256.16718	163.0
[M-H]-	232.17068	160.9
[M+NH4]+	251.21178	175.9
[M+K]+	272.14112	160.0
[M+H-H2O]+	216.17522	151.1
[M+HCOO]-	278.17616	181.1
[M+CH3COO]-	292.19181	196.8
[M+Na-2H]-	254.15263	161.3
[M]+	233.17741	159.8
[M]-	233.17851	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe