CID 469964

N,n'-bis[1-(hydroxymethyl)propyl]butanediamide

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₄

SMILES

CCC(CO)NC(=O)CCC(=O)NC(CC)CO

InChI

InChI=1S/C12H24N2O4/c1-3-9(7-15)13-11(17)5-6-12(18)14-10(4-2)8-16/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18)

InChIKey

KPWHIZCDFRTCHP-UHFFFAOYSA-N

Compound name

N,N'-bis(1-hydroxybutan-2-yl)butanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.1736 Da
Monoisotopic Mass: -0.7
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]+	261.180876	165.6
[M+Na]+	283.162818	167.3
[M-H]-	259.166324	162.1
[M+NH4]+	278.207423	180.0
[M+K]+	299.136758	166.6
[M+H-H2O]+	243.170860	159.1
[M+HCOO]-	305.171801	183.8
[M+CH3COO]-	319.187451	198.8
[M+Na-2H]-	281.148266	163.8
[M]+	260.17305142	165.2
[M]-	260.17414858	165.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.