CID 106158

Isononane, 1,1-diethoxy-

Structural Information

Molecular Formula
C13H28O2
SMILES
CCOC(CCCCCC(C)C)OCC
InChI
InChI=1S/C13H28O2/c1-5-14-13(15-6-2)11-9-7-8-10-12(3)4/h12-13H,5-11H2,1-4H3
InChIKey
UAARUIRTLPTVEA-UHFFFAOYSA-N
Compound name
1,1-diethoxy-7-methyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

216.20892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.21620 158.3
[M+Na]+ 239.19814 162.2
[M-H]- 215.20164 157.5
[M+NH4]+ 234.24274 177.1
[M+K]+ 255.17208 162.0
[M+H-H2O]+ 199.20618 152.6
[M+HCOO]- 261.20712 178.3
[M+CH3COO]- 275.22277 193.9
[M+Na-2H]- 237.18359 159.1
[M]+ 216.20837 163.9
[M]- 216.20947 163.9
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.