CID 109996

2,2-dimethoxyundecane

Structural Information

Molecular Formula
C13H28O2
SMILES
CCCCCCCCCC(C)(OC)OC
InChI
InChI=1S/C13H28O2/c1-5-6-7-8-9-10-11-12-13(2,14-3)15-4/h5-12H2,1-4H3
InChIKey
YNICHAOCDICNOT-UHFFFAOYSA-N
Compound name
2,2-dimethoxyundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

739
Patents

216.20892 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.216196 157.3
[M+Na]+ 239.198138 162.1
[M-H]- 215.201644 156.6
[M+NH4]+ 234.242743 176.4
[M+K]+ 255.172078 161.4
[M+H-H2O]+ 199.206180 152.1
[M+HCOO]- 261.207121 177.8
[M+CH3COO]- 275.222771 192.7
[M+Na-2H]- 237.183586 161.4
[M]+ 216.20837142 163.8
[M]- 216.20946858 163.8
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