CID 3018433

73410-11-4

Structural Information

Molecular Formula

C₁₅H₂₉NO

SMILES

CCCCNC(=O)C1CC(CCC1C(C)C)C

InChI

InChI=1S/C15H29NO/c1-5-6-9-16-15(17)14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)

InChIKey

HNQBHFPOOAHYGE-UHFFFAOYSA-N

Compound name

N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 239.22491 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]+	240.232186	162.7
[M+Na]+	262.214128	165.3
[M-H]-	238.217634	164.9
[M+NH4]+	257.258733	180.2
[M+K]+	278.188068	163.4
[M+H-H2O]+	222.222170	156.3
[M+HCOO]-	284.223111	180.2
[M+CH3COO]-	298.238761	200.0
[M+Na-2H]-	260.199576	161.0
[M]+	239.22436142	159.8
[M]-	239.22545858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe