CID 174845

Ethyl norbornylcyclohexanol

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CCC12CCC(C1)C(C2)C3(CCCCC3)O

InChI

InChI=1S/C15H26O/c1-2-14-9-6-12(10-14)13(11-14)15(16)7-4-3-5-8-15/h12-13,16H,2-11H2,1H3

InChIKey

XVOKPNRYHDZDMX-UHFFFAOYSA-N

Compound name

1-(4-ethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 225
Patents: 222.19836 Da
Monoisotopic Mass: 4.4
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]+	223.205636	158.4
[M+Na]+	245.187578	162.8
[M-H]-	221.191084	162.0
[M+NH4]+	240.232183	184.7
[M+K]+	261.161518	158.6
[M+H-H2O]+	205.195620	153.7
[M+HCOO]-	267.196561	173.6
[M+CH3COO]-	281.212211	169.2
[M+Na-2H]-	243.173026	159.4
[M]+	222.19781142	152.0
[M]-	222.19890858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe