CID 19540

Pentylcyclopentane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CCCCCC1CCCC1

InChI

InChI=1S/C10H20/c1-2-3-4-7-10-8-5-6-9-10/h10H,2-9H2,1H3

InChIKey

HPQURZRDYMUHJI-UHFFFAOYSA-N

Compound name

pentylcyclopentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1776
Patents: 140.1565 Da
Monoisotopic Mass: 5.1
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]+	141.163776	135.6
[M+Na]+	163.145718	140.4
[M-H]-	139.149224	138.0
[M+NH4]+	158.190323	158.9
[M+K]+	179.119658	139.0
[M+H-H2O]+	123.153760	130.1
[M+HCOO]-	185.154701	157.5
[M+CH3COO]-	199.170351	175.5
[M+Na-2H]-	161.131166	138.8
[M]+	140.15595142	133.6
[M]-	140.15704858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe