CID 16269

Butylcyclopentane

Structural Information

Molecular Formula

C₉H₁₈

SMILES

CCCCC1CCCC1

InChI

InChI=1S/C9H18/c1-2-3-6-9-7-4-5-8-9/h9H,2-8H2,1H3

InChIKey

ZAGHKONXGGSVDV-UHFFFAOYSA-N

Compound name

butylcyclopentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2721
Patents: 126.140854 Da
Monoisotopic Mass: 4.6
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]+	127.14813	130.9
[M+Na]+	149.13007	136.1
[M-H]-	125.13358	133.6
[M+NH4]+	144.17468	154.8
[M+K]+	165.10401	135.1
[M+H-H2O]+	109.13811	125.7
[M+HCOO]-	171.13906	153.2
[M+CH3COO]-	185.15470	172.5
[M+Na-2H]-	147.11552	134.8
[M]+	126.14031	128.6
[M]-	126.14140	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe