CID 3016609

N,2-di-sec-butyl-3-methylvaleramide

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

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

InChI

InChI=1S/C14H29NO/c1-7-10(4)13(11(5)8-2)14(16)15-12(6)9-3/h10-13H,7-9H2,1-6H3,(H,15,16)

InChIKey

NJYRBFYAWUYSIJ-UHFFFAOYSA-N

Compound name

N,2-di(butan-2-yl)-3-methylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 227.22491 Da
Monoisotopic Mass: 4.6
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]+	228.232186	163.3
[M+Na]+	250.214128	165.7
[M-H]-	226.217634	162.6
[M+NH4]+	245.258733	181.1
[M+K]+	266.188068	165.6
[M+H-H2O]+	210.222170	157.5
[M+HCOO]-	272.223111	180.9
[M+CH3COO]-	286.238761	200.9
[M+Na-2H]-	248.199576	159.9
[M]+	227.22436142	164.2
[M]-	227.22545858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe