CID 3018210

8,8-diethoxy-2,6-dimethyloct-2-ene

Structural Information

Molecular Formula
C14H28O2
SMILES
CCOC(CC(C)CCC=C(C)C)OCC
InChI
InChI=1S/C14H28O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,13-14H,6-8,10-11H2,1-5H3
InChIKey
HYNXWFKVWMABRM-UHFFFAOYSA-N
Compound name
8,8-diethoxy-2,6-dimethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

95
Patents

228.20892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 161.6
[M+Na]+ 251.19814 165.2
[M-H]- 227.20164 160.7
[M+NH4]+ 246.24274 179.8
[M+K]+ 267.17208 164.7
[M+H-H2O]+ 211.20618 155.9
[M+HCOO]- 273.20712 180.5
[M+CH3COO]- 287.22277 196.2
[M+Na-2H]- 249.18359 160.6
[M]+ 228.20837 166.1
[M]- 228.20947 166.1
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