CID 163400

84029-93-6

Structural Information

Molecular Formula
C14H28O2
SMILES
CCOC(C)OC(C)(CCCC(C)C)C=C
InChI
InChI=1S/C14H28O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,12-13H,1,8-11H2,2-6H3
InChIKey
IJOLRHXMJRNZNP-UHFFFAOYSA-N
Compound name
3-(1-ethoxyethoxy)-3,7-dimethyloct-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

228.20892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 160.0
[M+Na]+ 251.19814 164.3
[M-H]- 227.20164 159.4
[M+NH4]+ 246.24274 178.4
[M+K]+ 267.17208 163.7
[M+H-H2O]+ 211.20618 154.9
[M+HCOO]- 273.20712 178.4
[M+CH3COO]- 287.22277 196.4
[M+Na-2H]- 249.18359 161.2
[M]+ 228.20837 164.8
[M]- 228.20947 164.8
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

No patent data available for this compound.