CID 557325

99992-19-5

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

C1CCC2(CCCCC2C1)CO

InChI

InChI=1S/C11H20O/c12-9-11-7-3-1-5-10(11)6-2-4-8-11/h10,12H,1-9H2

InChIKey

ZVYRRWLYOCFIMM-UHFFFAOYSA-N

Compound name

2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 168.15141 Da
Monoisotopic Mass: 3.4
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]+	169.158686	140.4
[M+Na]+	191.140628	143.7
[M-H]-	167.144134	142.0
[M+NH4]+	186.185233	162.7
[M+K]+	207.114568	141.3
[M+H-H2O]+	151.148670	135.1
[M+HCOO]-	213.149611	155.6
[M+CH3COO]-	227.165261	175.6
[M+Na-2H]-	189.126076	146.1
[M]+	168.15086142	132.4
[M]-	168.15195858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe