CID 6444518

Linoleamide, n-isopropyl-

Structural Information

Molecular Formula

C₂₁H₃₉NO

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C

InChI

InChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3,(H,22,23)/b9-8-,12-11-

InChIKey

GHLUXRXWPBHFNB-MURFETPASA-N

Compound name

(9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 321.30316 Da
Monoisotopic Mass: 7.1
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]+	322.31044	191.4
[M+Na]+	344.29238	192.2
[M-H]-	320.29588	189.1
[M+NH4]+	339.33698	205.6
[M+K]+	360.26632	187.5
[M+H-H2O]+	304.30042	184.1
[M+HCOO]-	366.30136	210.1
[M+CH3COO]-	380.31701	216.1
[M+Na-2H]-	342.27783	188.2
[M]+	321.30261	195.3
[M]-	321.30371	195.3

Literature stripe

literature stripe

Patent stripe

patents stripe