CID 76500

3077-37-0

Structural Information

Molecular Formula

C₁₃H₂₇NO₃

SMILES

CCCCCCCCC(=O)N(CCO)CCO

InChI

InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-8-13(17)14(9-11-15)10-12-16/h15-16H,2-12H2,1H3

InChIKey

WODYOUWSWYOPBP-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)nonanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 245.1991 Da
Monoisotopic Mass: 1.9
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]+	246.20638	162.3
[M+Na]+	268.18832	168.5
[M+NH4]+	263.23292	167.3
[M+K]+	284.16226	163.7
[M-H]-	244.19182	160.0
[M+Na-2H]-	266.17377	162.4
[M]+	245.19855	161.9
[M]-	245.19965	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe