CID 38108

N-(4-hexyl-1-cyclohexyl)acetamide

Structural Information

Molecular Formula

C₁₄H₂₇NO

SMILES

CCCCCCC1CCC(CC1)NC(=O)C

InChI

InChI=1S/C14H27NO/c1-3-4-5-6-7-13-8-10-14(11-9-13)15-12(2)16/h13-14H,3-11H2,1-2H3,(H,15,16)

InChIKey

BFXNCPHZEARTKG-UHFFFAOYSA-N

Compound name

N-(4-hexylcyclohexyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.20926 Da
Monoisotopic Mass: 4.3
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]+	226.21654	158.1
[M+Na]+	248.19848	166.6
[M+NH4]+	243.24308	165.8
[M+K]+	264.17242	159.7
[M-H]-	224.20198	160.1
[M+Na-2H]-	246.18393	161.3
[M]+	225.20871	159.5
[M]-	225.20981	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe