CID 5463939

Capric monoisopropanolamide

Structural Information

Molecular Formula

C₁₃H₂₇NO₂

SMILES

CCCCCCCCCC(=O)NCC(C)O

InChI

InChI=1S/C13H27NO2/c1-3-4-5-6-7-8-9-10-13(16)14-11-12(2)15/h12,15H,3-11H2,1-2H3,(H,14,16)

InChIKey

YQSBEIIQKPQGCO-UHFFFAOYSA-N

Compound name

N-(2-hydroxypropyl)decanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 229.20418 Da
Monoisotopic Mass: 3.4
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]+	230.21146	161.6
[M+Na]+	252.19340	164.5
[M-H]-	228.19690	159.2
[M+NH4]+	247.23800	178.7
[M+K]+	268.16734	162.7
[M+H-H2O]+	212.20144	155.5
[M+HCOO]-	274.20238	181.3
[M+CH3COO]-	288.21803	194.6
[M+Na-2H]-	250.17885	162.0
[M]+	229.20363	163.5
[M]-	229.20473	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe