CID 3016608

51115-83-4

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

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

InChI

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

InChIKey

TUZDHGXGZZMZQV-UHFFFAOYSA-N

Compound name

2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	160.9
[M+Na]+	250.214128	164.0
[M-H]-	226.217634	160.5
[M+NH4]+	245.258733	179.0
[M+K]+	266.188068	163.9
[M+H-H2O]+	210.222170	155.8
[M+HCOO]-	272.223111	178.1
[M+CH3COO]-	286.238761	200.3
[M+Na-2H]-	248.199576	159.8
[M]+	227.22436142	162.1
[M]-	227.22545858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe