CID 77196

Cyclooctanemethanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

C1CCCC(CCC1)CO

InChI

InChI=1S/C9H18O/c10-8-9-6-4-2-1-3-5-7-9/h9-10H,1-8H2

InChIKey

ZHPBLHYKDKSZCQ-UHFFFAOYSA-N

Compound name

cyclooctylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4033
Patents: 142.13577 Da
Monoisotopic Mass: 3.0
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]+	143.14305	141.3
[M+Na]+	165.12499	145.0
[M-H]-	141.12849	142.3
[M+NH4]+	160.16959	150.7
[M+K]+	181.09893	145.5
[M+H-H2O]+	125.13303	138.2
[M+HCOO]-	187.13397	149.8
[M+CH3COO]-	201.14962	217.2
[M+Na-2H]-	163.11044	142.0
[M]+	142.13522	138.8
[M]-	142.13632	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe