CID 76896

N-(hydroxymethyl)stearamide

Structural Information

Molecular Formula
C19H39NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCO
InChI
InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h21H,2-18H2,1H3,(H,20,22)
InChIKey
JHOKTNSTUVKGJC-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3777
Patents

313.29807 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.30535 187.3
[M+Na]+ 336.28729 187.8
[M-H]- 312.29079 183.6
[M+NH4]+ 331.33189 201.0
[M+K]+ 352.26123 184.1
[M+H-H2O]+ 296.29533 179.9
[M+HCOO]- 358.29627 205.9
[M+CH3COO]- 372.31192 211.7
[M+Na-2H]- 334.27274 185.9
[M]+ 313.29752 192.2
[M]- 313.29862 192.2
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