CID 296934

5019-91-0

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CC2CCC1CC2CO

InChI

InChI=1S/C9H16O/c10-6-9-5-7-1-3-8(9)4-2-7/h7-10H,1-6H2

InChIKey

CYJSENHSYHIVTH-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.2]octanylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 140.12012 Da
Monoisotopic Mass: 2.4
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]+	141.12740	130.0
[M+Na]+	163.10934	133.8
[M-H]-	139.11284	125.5
[M+NH4]+	158.15394	155.5
[M+K]+	179.08328	131.5
[M+H-H2O]+	123.11738	126.4
[M+HCOO]-	185.11832	140.9
[M+CH3COO]-	199.13397	140.8
[M+Na-2H]-	161.09479	140.9
[M]+	140.11957	128.8
[M]-	140.12067	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe