CID 218222

Acetamide, n-(1-(phenylmethyl)cyclohexyl)-

Structural Information

Molecular Formula
C15H21NO
SMILES
CC(=O)NC1(CCCCC1)CC2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c1-13(17)16-15(10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,16,17)
InChIKey
YYKPTAFHAQTUAD-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 155.8
[M+Na]+ 254.151528 159.0
[M-H]- 230.155034 161.2
[M+NH4]+ 249.196133 174.6
[M+K]+ 270.125468 156.1
[M+H-H2O]+ 214.159570 148.6
[M+HCOO]- 276.160511 176.0
[M+CH3COO]- 290.176161 191.8
[M+Na-2H]- 252.136976 160.4
[M]+ 231.16176142 150.4
[M]- 231.16285858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.