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]+ 232.16959 155.8
[M+Na]+ 254.15153 159.0
[M-H]- 230.15503 161.2
[M+NH4]+ 249.19613 174.6
[M+K]+ 270.12547 156.1
[M+H-H2O]+ 214.15957 148.6
[M+HCOO]- 276.16051 176.0
[M+CH3COO]- 290.17616 191.8
[M+Na-2H]- 252.13698 160.4
[M]+ 231.16176 150.4
[M]- 231.16286 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.