CID 3450796

Cyclohexyl(dicyclopropyl)methanol

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

C1CCC(CC1)C(C2CC2)(C3CC3)O

InChI

InChI=1S/C13H22O/c14-13(11-6-7-11,12-8-9-12)10-4-2-1-3-5-10/h10-12,14H,1-9H2

InChIKey

JGIFCDXLSBRZQP-UHFFFAOYSA-N

Compound name

cyclohexyl(dicyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.16707 Da
Monoisotopic Mass: 3.3
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]+	195.174346	148.6
[M+Na]+	217.156288	152.5
[M-H]-	193.159794	155.9
[M+NH4]+	212.200893	155.8
[M+K]+	233.130228	151.4
[M+H-H2O]+	177.164330	142.7
[M+HCOO]-	239.165271	163.5
[M+CH3COO]-	253.180921	194.1
[M+Na-2H]-	215.141736	151.4
[M]+	194.16652142	146.8
[M]-	194.16761858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe