CID 43943

5-(1-methylpropyl)nonane

Structural Information

Molecular Formula

C₁₃H₂₈

SMILES

CCCCC(CCCC)C(C)CC

InChI

InChI=1S/C13H28/c1-5-8-10-13(11-9-6-2)12(4)7-3/h12-13H,5-11H2,1-4H3

InChIKey

MYBISLOUUPIYHV-UHFFFAOYSA-N

Compound name

5-butan-2-ylnonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 184.2191 Da
Monoisotopic Mass: 6.7
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	151.8
[M+Na]+	207.20832	155.7
[M-H]-	183.21182	151.0
[M+NH4]+	202.25292	172.0
[M+K]+	223.18226	154.6
[M+H-H2O]+	167.21636	146.5
[M+HCOO]-	229.21730	171.3
[M+CH3COO]-	243.23295	190.3
[M+Na-2H]-	205.19377	152.6
[M]+	184.21855	154.4
[M]-	184.21965	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe