CID 549095

1-(n-pentyl)cyclopentanol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCCC1(CCCC1)O

InChI

InChI=1S/C10H20O/c1-2-3-4-7-10(11)8-5-6-9-10/h11H,2-9H2,1H3

InChIKey

LPRXLSZAZXWDMY-UHFFFAOYSA-N

Compound name

1-pentylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
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]+	157.15869	138.6
[M+Na]+	179.14063	143.9
[M-H]-	155.14413	140.0
[M+NH4]+	174.18523	162.5
[M+K]+	195.11457	142.1
[M+H-H2O]+	139.14867	134.2
[M+HCOO]-	201.14961	159.3
[M+CH3COO]-	215.16526	174.2
[M+Na-2H]-	177.12608	142.6
[M]+	156.15086	136.4
[M]-	156.15196	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe