CID 3023353

N-(1-(hydroxymethyl)propyl)undecanamide

Structural Information

Molecular Formula

C₁₅H₃₁NO₂

SMILES

CCCCCCCCCCC(=O)NC(CC)CO

InChI

InChI=1S/C15H31NO2/c1-3-5-6-7-8-9-10-11-12-15(18)16-14(4-2)13-17/h14,17H,3-13H2,1-2H3,(H,16,18)

InChIKey

DNBCFRWYLAIQOV-UHFFFAOYSA-N

Compound name

N-(1-hydroxybutan-2-yl)undecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.23547 Da
Monoisotopic Mass: 4.4
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]+	258.242746	170.6
[M+Na]+	280.224688	172.6
[M-H]-	256.228194	167.9
[M+NH4]+	275.269293	186.6
[M+K]+	296.198628	170.4
[M+H-H2O]+	240.232730	164.1
[M+HCOO]-	302.233671	189.6
[M+CH3COO]-	316.249321	200.6
[M+Na-2H]-	278.210136	169.9
[M]+	257.23492142	173.3
[M]-	257.23601858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe