CID 3067809

Cm 40395

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CCCCNC(=O)CC(C)NC(=O)CCC

InChI

InChI=1S/C12H24N2O2/c1-4-6-8-13-12(16)9-10(3)14-11(15)7-5-2/h10H,4-9H2,1-3H3,(H,13,16)(H,14,15)

InChIKey

RWZHNOUREISRTF-UHFFFAOYSA-N

Compound name

3-(butanoylamino)-N-butylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.18378 Da
Monoisotopic Mass: 1.3
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]+	229.191056	159.7
[M+Na]+	251.172998	162.7
[M-H]-	227.176504	159.1
[M+NH4]+	246.217603	177.1
[M+K]+	267.146938	162.0
[M+H-H2O]+	211.181040	153.2
[M+HCOO]-	273.181981	181.4
[M+CH3COO]-	287.197631	198.5
[M+Na-2H]-	249.158446	160.1
[M]+	228.18323142	160.9
[M]-	228.18432858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.