CID 3586567

2-{bicyclo[2.2.1]heptan-2-yl}ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CC2CC1CC2CCO

InChI

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

InChIKey

KCJSRRQHLVFCEM-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.1]heptanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
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]+	141.127396	133.5
[M+Na]+	163.109338	139.9
[M-H]-	139.112844	134.7
[M+NH4]+	158.153943	159.7
[M+K]+	179.083278	137.8
[M+H-H2O]+	123.117380	129.6
[M+HCOO]-	185.118321	153.5
[M+CH3COO]-	199.133971	172.1
[M+Na-2H]-	161.094786	136.7
[M]+	140.11957142	131.2
[M]-	140.12066858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe