CID 6443016

(e)-octadec-2-enamide

Structural Information

Molecular Formula
C18H35NO
SMILES
CCCCCCCCCCCCCCC/C=C/C(=O)N
InChI
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H2,19,20)/b17-16+
InChIKey
MHKBSCHWKVCLJL-WUKNDPDISA-N
Compound name
(E)-octadec-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

281.27185 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.279126 178.7
[M+Na]+ 304.261068 180.4
[M-H]- 280.264574 176.2
[M+NH4]+ 299.305673 194.1
[M+K]+ 320.235008 176.3
[M+H-H2O]+ 264.269110 171.6
[M+HCOO]- 326.270051 198.5
[M+CH3COO]- 340.285701 207.9
[M+Na-2H]- 302.246516 177.2
[M]+ 281.27130142 181.9
[M]- 281.27239858 181.9
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