CID 520404

1-isobutyl-3-methylcyclopentane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CC1CCC(C1)CC(C)C

InChI

InChI=1S/C10H20/c1-8(2)6-10-5-4-9(3)7-10/h8-10H,4-7H2,1-3H3

InChIKey

GTALJEOQBKHHJE-UHFFFAOYSA-N

Compound name

1-methyl-3-(2-methylpropyl)cyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 140.1565 Da
Monoisotopic Mass: 4.5
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	135.1
[M+Na]+	163.145718	140.7
[M-H]-	139.149224	138.2
[M+NH4]+	158.190323	158.8
[M+K]+	179.119658	139.7
[M+H-H2O]+	123.153760	130.2
[M+HCOO]-	185.154701	156.1
[M+CH3COO]-	199.170351	177.4
[M+Na-2H]-	161.131166	136.6
[M]+	140.15595142	132.9
[M]-	140.15704858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe