CID 3322721

14303-96-9

Structural Information

Molecular Formula

C₁₈H₃₇NO

SMILES

CCCCCCCCCCCCCCCCNC(=O)C

InChI

InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2)20/h3-17H2,1-2H3,(H,19,20)

InChIKey

WZGQRPGQTOSEMN-UHFFFAOYSA-N

Compound name

N-hexadecylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 156
Patents: 283.2875 Da
Monoisotopic Mass: 7.3
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]+	284.294776	180.0
[M+Na]+	306.276718	181.4
[M-H]-	282.280224	178.0
[M+NH4]+	301.321323	195.7
[M+K]+	322.250658	178.3
[M+H-H2O]+	266.284760	172.9
[M+HCOO]-	328.285701	200.3
[M+CH3COO]-	342.301351	209.5
[M+Na-2H]-	304.262166	179.5
[M]+	283.28695142	185.0
[M]-	283.28804858	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe