CID 20437989

Dtxsid30607147

Structural Information

Molecular Formula

C₁₇H₂₄O

SMILES

CCCC1CCC(CC1)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24O/c1-2-6-14-9-11-15(12-10-14)13-17(18)16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3

InChIKey

UBARRVOUSYRAME-UHFFFAOYSA-N

Compound name

1-phenyl-2-(4-propylcyclohexyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 244.18271 Da
Monoisotopic Mass: 5.6
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]+	245.18999	160.2
[M+Na]+	267.17193	163.3
[M-H]-	243.17543	165.3
[M+NH4]+	262.21653	177.0
[M+K]+	283.14587	159.7
[M+H-H2O]+	227.17997	152.6
[M+HCOO]-	289.18091	178.6
[M+CH3COO]-	303.19656	195.3
[M+Na-2H]-	265.15738	161.6
[M]+	244.18216	156.4
[M]-	244.18326	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe