CID 103623

2,2,3-trimethylcyclopentaneethanol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC1CCC(C1(C)C)CCO

InChI

InChI=1S/C10H20O/c1-8-4-5-9(6-7-11)10(8,2)3/h8-9,11H,4-7H2,1-3H3

InChIKey

RKGJMEVXZSTOHA-UHFFFAOYSA-N

Compound name

2-(2,2,3-trimethylcyclopentyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 156.15141 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]+	157.158686	136.1
[M+Na]+	179.140628	143.3
[M-H]-	155.144134	138.4
[M+NH4]+	174.185233	160.8
[M+K]+	195.114568	141.6
[M+H-H2O]+	139.148670	132.5
[M+HCOO]-	201.149611	156.8
[M+CH3COO]-	215.165261	176.4
[M+Na-2H]-	177.126076	139.0
[M]+	156.15086142	134.8
[M]-	156.15195858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe