CID 6450451

N-methylol-9-octadecenamide

Structural Information

Molecular Formula
C19H37NO2
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NCO
InChI
InChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h9-10,21H,2-8,11-18H2,1H3,(H,20,22)/b10-9+
InChIKey
RUEGEWYIWRJXNU-MDZDMXLPSA-N
Compound name
(E)-N-(hydroxymethyl)octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

311.28244 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.28972 186.0
[M+Na]+ 334.27166 186.9
[M-H]- 310.27516 182.4
[M+NH4]+ 329.31626 199.8
[M+K]+ 350.24560 182.5
[M+H-H2O]+ 294.27970 178.8
[M+HCOO]- 356.28064 204.9
[M+CH3COO]- 370.29629 210.2
[M+Na-2H]- 332.25711 184.6
[M]+ 311.28189 190.1
[M]- 311.28299 190.1
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

patents stripe