CID 535026

1-methoxy-2,7-octadiene

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

COCC=CCCCC=C

InChI

InChI=1S/C9H16O/c1-3-4-5-6-7-8-9-10-2/h3,7-8H,1,4-6,9H2,2H3

InChIKey

MIJJHRIQVWIQGL-UHFFFAOYSA-N

Compound name

8-methoxyocta-1,6-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 470
Patents: 140.12012 Da
Monoisotopic Mass: 2.5
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]+	141.12740	132.4
[M+Na]+	163.10934	139.1
[M-H]-	139.11284	132.3
[M+NH4]+	158.15394	154.3
[M+K]+	179.08328	137.5
[M+H-H2O]+	123.11738	127.8
[M+HCOO]-	185.11832	155.9
[M+CH3COO]-	199.13397	175.9
[M+Na-2H]-	161.09479	138.1
[M]+	140.11957	134.9
[M]-	140.12067	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.