CID 3420996

1-methoxy-4-tert-pentylcyclohexane

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCC(C)(C)C1CCC(CC1)OC

InChI

InChI=1S/C12H24O/c1-5-12(2,3)10-6-8-11(13-4)9-7-10/h10-11H,5-9H2,1-4H3

InChIKey

AJULSUVNFQEPHC-UHFFFAOYSA-N

Compound name

1-methoxy-4-(2-methylbutan-2-yl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.18271 Da
Monoisotopic Mass: 3.9
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]+	185.189986	145.5
[M+Na]+	207.171928	150.0
[M-H]-	183.175434	148.2
[M+NH4]+	202.216533	165.7
[M+K]+	223.145868	149.1
[M+H-H2O]+	167.179970	140.4
[M+HCOO]-	229.180911	163.4
[M+CH3COO]-	243.196561	185.1
[M+Na-2H]-	205.157376	149.2
[M]+	184.18216142	143.7
[M]-	184.18325858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe