CID 212510

24388-85-0

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CCCCNC(=O)C(C)(C)C(=O)C(C)C

InChI

InChI=1S/C12H23NO2/c1-6-7-8-13-11(15)12(4,5)10(14)9(2)3/h9H,6-8H2,1-5H3,(H,13,15)

InChIKey

ZKIZNUSNNVSDMA-UHFFFAOYSA-N

Compound name

N-butyl-2,2,4-trimethyl-3-oxopentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.17288 Da
Monoisotopic Mass: 2.6
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]+	214.180156	153.6
[M+Na]+	236.162098	157.9
[M-H]-	212.165604	153.4
[M+NH4]+	231.206703	172.1
[M+K]+	252.136038	157.7
[M+H-H2O]+	196.170140	148.5
[M+HCOO]-	258.171081	172.8
[M+CH3COO]-	272.186731	194.4
[M+Na-2H]-	234.147546	154.8
[M]+	213.17233142	155.3
[M]-	213.17342858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.