CID 3024292

1-(decyloxy)-1-methoxyundecane

Structural Information

Molecular Formula
C22H46O2
SMILES
CCCCCCCCCCC(OC)OCCCCCCCCCC
InChI
InChI=1S/C22H46O2/c1-4-6-8-10-12-14-16-18-20-22(23-3)24-21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
InChIKey
KMMDBOHVGMLBDW-UHFFFAOYSA-N
Compound name
1-decoxy-1-methoxyundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3498 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.357076 198.6
[M+Na]+ 365.339018 199.0
[M-H]- 341.342524 195.9
[M+NH4]+ 360.383623 212.3
[M+K]+ 381.312958 195.9
[M+H-H2O]+ 325.347060 191.0
[M+HCOO]- 387.348001 216.6
[M+CH3COO]- 401.363651 219.8
[M+Na-2H]- 363.324466 195.8
[M]+ 342.34925142 208.3
[M]- 342.35034858 208.3
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

No patent data available for this compound.