CID 132536469

(e)-n-(2-hydroxyethyl)octadec-6-enamide

Structural Information

Molecular Formula
C20H39NO2
SMILES
CCCCCCCCCCC/C=C/CCCCC(=O)NCCO
InChI
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h12-13,22H,2-11,14-19H2,1H3,(H,21,23)/b13-12+
InChIKey
NNPTVHABBUVOGA-OUKQBFOZSA-N
Compound name
(E)-N-(2-hydroxyethyl)octadec-6-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.29807 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.30535 190.3
[M+Na]+ 348.28729 190.8
[M-H]- 324.29079 186.6
[M+NH4]+ 343.33189 203.6
[M+K]+ 364.26123 186.2
[M+H-H2O]+ 308.29533 182.9
[M+HCOO]- 370.29627 208.9
[M+CH3COO]- 384.31192 213.2
[M+Na-2H]- 346.27274 188.4
[M]+ 325.29752 194.8
[M]- 325.29862 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.