CID 109270

68298-28-2

Structural Information

Molecular Formula
C16H32O3
SMILES
CCOC(COCCC(C)CCC=C(C)C)OCC
InChI
InChI=1S/C16H32O3/c1-6-18-16(19-7-2)13-17-12-11-15(5)10-8-9-14(3)4/h9,15-16H,6-8,10-13H2,1-5H3
InChIKey
NELFLEJGHKZFQI-UHFFFAOYSA-N
Compound name
8-(2,2-diethoxyethoxy)-2,6-dimethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.23514 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.24242 173.9
[M+Na]+ 295.22436 176.7
[M-H]- 271.22786 172.6
[M+NH4]+ 290.26896 190.3
[M+K]+ 311.19830 176.0
[M+H-H2O]+ 255.23240 167.5
[M+HCOO]- 317.23334 192.3
[M+CH3COO]- 331.24899 204.0
[M+Na-2H]- 293.20981 171.8
[M]+ 272.23459 180.6
[M]- 272.23569 180.6
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