CID 300477

4-nonene, 5-butyl-

Structural Information

Molecular Formula

C₁₃H₂₆

SMILES

CCCCC(=CCCC)CCCC

InChI

InChI=1S/C13H26/c1-4-7-10-13(11-8-5-2)12-9-6-3/h10H,4-9,11-12H2,1-3H3

InChIKey

UKAAUKLRJKBIDI-UHFFFAOYSA-N

Compound name

5-butylnon-4-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 182.20345 Da
Monoisotopic Mass: 6.3
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]+	183.210726	149.8
[M+Na]+	205.192668	154.4
[M-H]-	181.196174	149.1
[M+NH4]+	200.237273	170.2
[M+K]+	221.166608	152.3
[M+H-H2O]+	165.200710	144.6
[M+HCOO]-	227.201651	170.6
[M+CH3COO]-	241.217301	187.9
[M+Na-2H]-	203.178116	152.0
[M]+	182.20290142	152.4
[M]-	182.20399858	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe