CID 13513139

62028-28-8

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(C1CC2CCC1CC2)O

InChI

InChI=1S/C10H18O/c1-7(11)10-6-8-2-4-9(10)5-3-8/h7-11H,2-6H2,1H3

InChIKey

XYLPDVMSRHJRAY-UHFFFAOYSA-N

Compound name

1-(2-bicyclo[2.2.2]octanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 154.13577 Da
Monoisotopic Mass: 2.8
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]+	155.14305	135.8
[M+Na]+	177.12499	138.8
[M-H]-	153.12849	131.0
[M+NH4]+	172.16959	160.6
[M+K]+	193.09893	136.7
[M+H-H2O]+	137.13303	132.1
[M+HCOO]-	199.13397	145.2
[M+CH3COO]-	213.14962	146.0
[M+Na-2H]-	175.11044	144.8
[M]+	154.13522	134.2
[M]-	154.13632	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe