CID 171552

Potassium n-phenyl-2-ethylhexanamide

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

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

InChI

InChI=1S/C14H21NO/c1-3-5-9-12(4-2)14(16)15-13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3,(H,15,16)

InChIKey

ODOHCTRASGIVSU-UHFFFAOYSA-N

Compound name

2-ethyl-N-phenylhexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 219.16231 Da
Monoisotopic Mass: 4.0
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]+	220.169586	154.4
[M+Na]+	242.151528	158.7
[M-H]-	218.155034	157.2
[M+NH4]+	237.196133	172.4
[M+K]+	258.125468	156.3
[M+H-H2O]+	202.159570	147.6
[M+HCOO]-	264.160511	176.8
[M+CH3COO]-	278.176161	193.4
[M+Na-2H]-	240.136976	157.7
[M]+	219.16176142	154.8
[M]-	219.16285858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe