CID 15334712

Isononanamide, n-(2-ethylhexyl)-

Structural Information

Molecular Formula

C₁₇H₃₅NO

SMILES

CCCCC(CC)CNC(=O)CCCCCC(C)C

InChI

InChI=1S/C17H35NO/c1-5-7-12-16(6-2)14-18-17(19)13-10-8-9-11-15(3)4/h15-16H,5-14H2,1-4H3,(H,18,19)

InChIKey

CYJLFSMDQYFKRD-UHFFFAOYSA-N

Compound name

N-(2-ethylhexyl)-7-methyloctanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 269.27185 Da
Monoisotopic Mass: 5.9
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]+	270.27913	177.0
[M+Na]+	292.26107	178.5
[M-H]-	268.26457	175.5
[M+NH4]+	287.30567	193.3
[M+K]+	308.23501	176.6
[M+H-H2O]+	252.26911	170.4
[M+HCOO]-	314.27005	195.7
[M+CH3COO]-	328.28570	208.1
[M+Na-2H]-	290.24652	174.5
[M]+	269.27130	180.4
[M]-	269.27240	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe