CID 100147

12-hydroxystearamide

Structural Information

Molecular Formula

C₁₈H₃₇NO₂

SMILES

CCCCCCC(CCCCCCCCCCC(=O)N)O

InChI

InChI=1S/C18H37NO2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21/h17,20H,2-16H2,1H3,(H2,19,21)

InChIKey

ALDZNWBBPCZXGH-UHFFFAOYSA-N

Compound name

12-hydroxyoctadecanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3521
Patents: 299.28244 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.28972	184.0
[M+Na]+	322.27166	184.7
[M-H]-	298.27516	180.1
[M+NH4]+	317.31626	197.9
[M+K]+	338.24560	181.3
[M+H-H2O]+	282.27970	177.0
[M+HCOO]-	344.28064	201.4
[M+CH3COO]-	358.29629	209.6
[M+Na-2H]-	320.25711	180.7
[M]+	299.28189	186.9
[M]-	299.28299	186.9

Literature stripe

literature stripe

Patent stripe

patents stripe