CID 13245694

2574-42-7

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CC2(CCC1CC2)CO

InChI

InChI=1S/C9H16O/c10-7-9-4-1-8(2-5-9)3-6-9/h8,10H,1-7H2

InChIKey

HNFOXZBCUXJBJM-UHFFFAOYSA-N

Compound name

1-bicyclo[2.2.2]octanylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 140.12012 Da
Monoisotopic Mass: 2.2
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	131.9
[M+Na]+	163.109338	135.9
[M-H]-	139.112844	127.4
[M+NH4]+	158.153943	159.1
[M+K]+	179.083278	133.5
[M+H-H2O]+	123.117380	128.0
[M+HCOO]-	185.118321	142.8
[M+CH3COO]-	199.133971	142.7
[M+Na-2H]-	161.094786	144.1
[M]+	140.11957142	130.6
[M]-	140.12066858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe