CID 98877

Qs580xo5xi

Structural Information

Molecular Formula

C₁₅H₂₇NO

SMILES

CC(=O)NC1CCC(CC1)CC2CCCCC2

InChI

InChI=1S/C15H27NO/c1-12(17)16-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h13-15H,2-11H2,1H3,(H,16,17)

InChIKey

QWTOQWAJZHMPJW-UHFFFAOYSA-N

Compound name

N-[4-(cyclohexylmethyl)cyclohexyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.20926 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]+	238.21654	160.1
[M+Na]+	260.19848	160.1
[M-H]-	236.20198	164.3
[M+NH4]+	255.24308	176.7
[M+K]+	276.17242	157.6
[M+H-H2O]+	220.20652	152.5
[M+HCOO]-	282.20746	175.8
[M+CH3COO]-	296.22311	194.6
[M+Na-2H]-	258.18393	159.9
[M]+	237.20871	150.5
[M]-	237.20981	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe