CID 201025

Valeramide, n,n,2-tripropyl-

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

CCCC(CCC)C(=O)N(CCC)CCC

InChI

InChI=1S/C14H29NO/c1-5-9-13(10-6-2)14(16)15(11-7-3)12-8-4/h13H,5-12H2,1-4H3

InChIKey

VXOHMBHHIUTXKU-UHFFFAOYSA-N

Compound name

N,N,2-tripropylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 227.22491 Da
Monoisotopic Mass: 4.4
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	162.7
[M+Na]+	250.214128	165.9
[M-H]-	226.217634	163.2
[M+NH4]+	245.258733	181.4
[M+K]+	266.188068	165.7
[M+H-H2O]+	210.222170	156.4
[M+HCOO]-	272.223111	183.8
[M+CH3COO]-	286.238761	201.8
[M+Na-2H]-	248.199576	162.4
[M]+	227.22436142	166.8
[M]-	227.22545858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe