CID 9882094

79356-91-5

Structural Information

Molecular Formula
C18H31NO
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N
InChI
InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H2,19,20)/b4-3-,7-6-,10-9-
InChIKey
NHUOWASJBBPFMB-PDBXOOCHSA-N
Compound name
(9Z,12Z,15Z)-octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

404
Patents

277.24057 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.24785 175.8
[M+Na]+ 300.22979 178.4
[M-H]- 276.23329 173.6
[M+NH4]+ 295.27439 191.5
[M+K]+ 316.20373 173.1
[M+H-H2O]+ 260.23783 169.1
[M+HCOO]- 322.23877 196.2
[M+CH3COO]- 336.25442 204.9
[M+Na-2H]- 298.21524 174.5
[M]+ 277.24002 177.6
[M]- 277.24112 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe