CID 556870

102714-95-4

Structural Information

Molecular Formula

C₁₈H₃₄O

SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)OC

InChI

InChI=1S/C18H34O/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h15-18H,3-14H2,1-2H3

InChIKey

RYHTXGXWVOAIRE-UHFFFAOYSA-N

Compound name

1-methoxy-4-(4-pentylcyclohexyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 210
Patents: 266.26096 Da
Monoisotopic Mass: 6.8
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]+	267.26824	170.7
[M+Na]+	289.25018	171.1
[M-H]-	265.25368	174.7
[M+NH4]+	284.29478	186.8
[M+K]+	305.22412	168.1
[M+H-H2O]+	249.25822	162.9
[M+HCOO]-	311.25916	185.1
[M+CH3COO]-	325.27481	200.6
[M+Na-2H]-	287.23563	169.0
[M]+	266.26041	164.6
[M]-	266.26151	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe