CID 116735

71077-30-0

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CCCCOCCC(C)CCC=C(C)C

InChI

InChI=1S/C14H28O/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3

InChIKey

ZEBHRRNMSFKVIM-UHFFFAOYSA-N

Compound name

8-butoxy-2,6-dimethyloct-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 212.21402 Da
Monoisotopic Mass: 5.0
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]+	213.22130	158.2
[M+Na]+	235.20324	162.1
[M-H]-	211.20674	157.4
[M+NH4]+	230.24784	177.3
[M+K]+	251.17718	160.6
[M+H-H2O]+	195.21128	152.7
[M+HCOO]-	257.21222	177.9
[M+CH3COO]-	271.22787	193.5
[M+Na-2H]-	233.18869	158.5
[M]+	212.21347	162.0
[M]-	212.21457	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe