CID 59577

102585-29-5

Structural Information

Molecular Formula
C15H21NO
SMILES
CC(=O)NC1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c1-12(17)16-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3,(H,16,17)
InChIKey
MHHGDPVUHFIQTH-UHFFFAOYSA-N
Compound name
N-(4-benzylcyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 155.1
[M+Na]+ 254.151528 158.3
[M-H]- 230.155034 160.5
[M+NH4]+ 249.196133 172.2
[M+K]+ 270.125468 155.1
[M+H-H2O]+ 214.159570 147.5
[M+HCOO]- 276.160511 175.3
[M+CH3COO]- 290.176161 193.4
[M+Na-2H]- 252.136976 158.0
[M]+ 231.16176142 149.9
[M]- 231.16285858 149.9
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.