CID 556851

97398-80-6

Structural Information

Molecular Formula

C₁₆H₃₀O

SMILES

CCCC1CCC(CC1)C2CCC(CC2)OC

InChI

InChI=1S/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3

InChIKey

JMOYCPSDEMHCFG-UHFFFAOYSA-N

Compound name

1-methoxy-4-(4-propylcyclohexyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 238.22966 Da
Monoisotopic Mass: 5.7
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]+	239.23694	161.7
[M+Na]+	261.21888	163.0
[M-H]-	237.22238	166.1
[M+NH4]+	256.26348	179.0
[M+K]+	277.19282	160.5
[M+H-H2O]+	221.22692	154.4
[M+HCOO]-	283.22786	176.9
[M+CH3COO]-	297.24351	194.5
[M+Na-2H]-	259.20433	161.1
[M]+	238.22911	155.0
[M]-	238.23021	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe