CID 517741

(3-methylbutyl)cyclopentane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CC(C)CCC1CCCC1

InChI

InChI=1S/C10H20/c1-9(2)7-8-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3

InChIKey

SAVJAOISDXUPNK-UHFFFAOYSA-N

Compound name

3-methylbutylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 262
Patents: 140.1565 Da
Monoisotopic Mass: 4.8
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	136.2
[M+Na]+	163.145718	140.8
[M-H]-	139.149224	138.8
[M+NH4]+	158.190323	159.5
[M+K]+	179.119658	139.8
[M+H-H2O]+	123.153760	130.9
[M+HCOO]-	185.154701	157.1
[M+CH3COO]-	199.170351	176.3
[M+Na-2H]-	161.131166	138.2
[M]+	140.15595142	133.6
[M]-	140.15704858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe