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
3
Annotation Hits

0
References

191
Patents

186.16199 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 146.2
[M+Na]+ 209.15121 152.0
[M-H]- 185.15471 146.1
[M+NH4]+ 204.19581 166.4
[M+K]+ 225.12515 151.7
[M+H-H2O]+ 169.15925 141.6
[M+HCOO]- 231.16019 166.6
[M+CH3COO]- 245.17584 186.5
[M+Na-2H]- 207.13666 150.2
[M]+ 186.16144 150.6
[M]- 186.16254 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe