CID 22728826

Schembl5156250

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(C)(CCC1CCCC1)O

InChI

InChI=1S/C10H20O/c1-10(2,11)8-7-9-5-3-4-6-9/h9,11H,3-8H2,1-2H3

InChIKey

FSZWOPFFVMYSPF-UHFFFAOYSA-N

Compound name

4-cyclopentyl-2-methylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 156.15141 Da
Monoisotopic Mass: 3.1
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]+	157.15869	139.2
[M+Na]+	179.14063	144.0
[M-H]-	155.14413	140.6
[M+NH4]+	174.18523	161.3
[M+K]+	195.11457	142.6
[M+H-H2O]+	139.14867	134.6
[M+HCOO]-	201.14961	158.3
[M+CH3COO]-	215.16526	175.0
[M+Na-2H]-	177.12608	142.8
[M]+	156.15086	136.3
[M]-	156.15196	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe