CID 75640

Pentylcyclopropane

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCCCCC1CC1

InChI

InChI=1S/C8H16/c1-2-3-4-5-8-6-7-8/h8H,2-7H2,1H3

InChIKey

SUBUEDOPXXGMKP-UHFFFAOYSA-N

Compound name

pentylcyclopropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 788
Patents: 112.1252 Da
Monoisotopic Mass: 4.0
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]+	113.13248	123.9
[M+Na]+	135.11442	136.6
[M+NH4]+	130.15902	133.9
[M+K]+	151.08836	131.1
[M-H]-	111.11792	132.7
[M+Na-2H]-	133.09987	132.5
[M]+	112.12465	129.3
[M]-	112.12575	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe