CID 139590552

11-methyl-11-hydroxyldodecanoic acid amide

Structural Information

Molecular Formula
C13H27NO2
SMILES
CC(C)(CCCCCCCCCC(=O)N)O
InChI
InChI=1S/C13H27NO2/c1-13(2,16)11-9-7-5-3-4-6-8-10-12(14)15/h16H,3-11H2,1-2H3,(H2,14,15)
InChIKey
ZVJUMMBZQZQUAS-UHFFFAOYSA-N
Compound name
11-hydroxy-11-methyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.20418 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.21146 160.8
[M+Na]+ 252.19340 164.3
[M-H]- 228.19690 158.1
[M+NH4]+ 247.23800 177.7
[M+K]+ 268.16734 162.1
[M+H-H2O]+ 212.20144 155.4
[M+HCOO]- 274.20238 179.3
[M+CH3COO]- 288.21803 194.1
[M+Na-2H]- 250.17885 162.2
[M]+ 229.20363 162.0
[M]- 229.20473 162.0
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