CID 109189

Octadecanamide, 12-hydroxy-n-octadecyl-

Structural Information

Molecular Formula
C36H73NO2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(CCCCCC)O
InChI
InChI=1S/C36H73NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-37-36(39)33-29-25-22-19-18-21-24-28-32-35(38)31-27-8-6-4-2/h35,38H,3-34H2,1-2H3,(H,37,39)
InChIKey
XJOOKFNMTRPLEG-UHFFFAOYSA-N
Compound name
12-hydroxy-N-octadecyloctadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

551.56415 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.57143 262.9
[M+Na]+ 574.55337 268.7
[M-H]- 550.55687 246.6
[M+NH4]+ 569.59797 259.6
[M+K]+ 590.52731 269.4
[M+H-H2O]+ 534.56141 260.6
[M+HCOO]- 596.56235 263.7
[M+CH3COO]- 610.57800 261.7
[M+Na-2H]- 572.53882 245.3
[M]+ 551.56360 259.7
[M]- 551.56470 259.7
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