CID 91936

2-octene, 8-methoxy-2,6-dimethyl-

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(CCC=C(C)C)CCOC

InChI

InChI=1S/C11H22O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11H,5,7-9H2,1-4H3

InChIKey

QUGQATRJSUHGGA-UHFFFAOYSA-N

Compound name

8-methoxy-2,6-dimethyloct-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 89
Patents: 170.16707 Da
Monoisotopic Mass: 3.7
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]+	171.17435	144.2
[M+Na]+	193.15629	149.4
[M-H]-	169.15979	143.9
[M+NH4]+	188.20089	164.9
[M+K]+	209.13023	148.7
[M+H-H2O]+	153.16433	139.3
[M+HCOO]-	215.16527	164.9
[M+CH3COO]-	229.18092	184.5
[M+Na-2H]-	191.14174	146.2
[M]+	170.16652	146.8
[M]-	170.16762	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe