CID 300476

5-butylnonane

Structural Information

Molecular Formula

C₁₃H₂₈

SMILES

CCCCC(CCCC)CCCC

InChI

InChI=1S/C13H28/c1-4-7-10-13(11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3

InChIKey

YXSQPZMAIVSYDV-UHFFFAOYSA-N

Compound name

5-butylnonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 438
Patents: 184.2191 Da
Monoisotopic Mass: 7.0
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]+	185.22638	151.4
[M+Na]+	207.20832	155.5
[M-H]-	183.21182	150.6
[M+NH4]+	202.25292	171.6
[M+K]+	223.18226	154.0
[M+H-H2O]+	167.21636	146.0
[M+HCOO]-	229.21730	171.9
[M+CH3COO]-	243.23295	189.5
[M+Na-2H]-	205.19377	153.5
[M]+	184.21855	154.7
[M]-	184.21965	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.