CID 24755581

6-methoxy-2,6-dimethyloctanal

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCC(C)(CCCC(C)C=O)OC

InChI

InChI=1S/C11H22O2/c1-5-11(3,13-4)8-6-7-10(2)9-12/h9-10H,5-8H2,1-4H3

InChIKey

XMLIBBMPASIZBW-UHFFFAOYSA-N

Compound name

6-methoxy-2,6-dimethyloctanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 185
Patents: 186.16199 Da
Monoisotopic Mass: 2.3
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]+	187.16927	145.7
[M+Na]+	209.15121	154.8
[M+NH4]+	204.19581	152.6
[M+K]+	225.12515	149.6
[M-H]-	185.15471	144.1
[M+Na-2H]-	207.13666	148.1
[M]+	186.16144	146.3
[M]-	186.16254	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe