CID 3023475

1-ethoxy-4-methyl-1-nonene

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCC(C)CC=COCC

InChI

InChI=1S/C12H24O/c1-4-6-7-9-12(3)10-8-11-13-5-2/h8,11-12H,4-7,9-10H2,1-3H3

InChIKey

XEPRCDNMZKXCAJ-UHFFFAOYSA-N

Compound name

1-ethoxy-4-methylnon-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 184.18271 Da
Monoisotopic Mass: 4.8
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]+	185.189986	148.6
[M+Na]+	207.171928	153.5
[M-H]-	183.175434	148.0
[M+NH4]+	202.216533	168.8
[M+K]+	223.145868	152.1
[M+H-H2O]+	167.179970	143.3
[M+HCOO]-	229.180911	169.9
[M+CH3COO]-	243.196561	186.7
[M+Na-2H]-	205.157376	151.3
[M]+	184.18216142	152.2
[M]-	184.18325858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe