CID 77414

Isobutylcyclopentane

Structural Information

Molecular Formula

C₉H₁₈

SMILES

CC(C)CC1CCCC1

InChI

InChI=1S/C9H18/c1-8(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3

InChIKey

DPUYDFJBHDYVQM-UHFFFAOYSA-N

Compound name

2-methylpropylcyclopentane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 882
Patents: 126.140854 Da
Monoisotopic Mass: 4.3
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]+	127.148130	131.5
[M+Na]+	149.130072	136.5
[M-H]-	125.133578	134.3
[M+NH4]+	144.174677	155.3
[M+K]+	165.104012	135.9
[M+H-H2O]+	109.138114	126.4
[M+HCOO]-	171.139055	152.8
[M+CH3COO]-	185.154705	173.3
[M+Na-2H]-	147.115520	134.1
[M]+	126.14030542	128.5
[M]-	126.14140258	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe