CID 522556

Nonylcyclopropane

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CCCCCCCCCC1CC1

InChI

InChI=1S/C12H24/c1-2-3-4-5-6-7-8-9-12-10-11-12/h12H,2-11H2,1H3

InChIKey

DTLFSMAJSOYMCO-UHFFFAOYSA-N

Compound name

nonylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 168.1878 Da
Monoisotopic Mass: 6.2
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]+	169.19508	139.3
[M+Na]+	191.17702	151.2
[M+NH4]+	186.22162	148.7
[M+K]+	207.15096	144.9
[M-H]-	167.18052	147.9
[M+Na-2H]-	189.16247	147.0
[M]+	168.18725	144.5
[M]-	168.18835	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe