CID 3021099

1,1-diethoxy-3,5,5-trimethylhexane

Structural Information

Molecular Formula
C13H28O2
SMILES
CCOC(CC(C)CC(C)(C)C)OCC
InChI
InChI=1S/C13H28O2/c1-7-14-12(15-8-2)9-11(3)10-13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKey
SXOLJHFGARCGQT-UHFFFAOYSA-N
Compound name
1,1-diethoxy-3,5,5-trimethylhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

216.20892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.21620 155.4
[M+Na]+ 239.19814 163.7
[M+NH4]+ 234.24274 162.1
[M+K]+ 255.17208 159.0
[M-H]- 215.20164 153.8
[M+Na-2H]- 237.18359 157.1
[M]+ 216.20837 156.0
[M]- 216.20947 156.0
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