CID 53427132

84963-24-6

Structural Information

Molecular Formula
C17H30O2
SMILES
CCOC(C1CC2CC(C1C=C2C)C(C)C)OCC
InChI
InChI=1S/C17H30O2/c1-6-18-17(19-7-2)16-10-13-9-14(11(3)4)15(16)8-12(13)5/h8,11,13-17H,6-7,9-10H2,1-5H3
InChIKey
SFEGCELBBKPZAG-UHFFFAOYSA-N
Compound name
5-(diethoxymethyl)-2-methyl-8-propan-2-ylbicyclo[2.2.2]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 171.6
[M+Na]+ 289.213798 174.1
[M-H]- 265.217304 167.7
[M+NH4]+ 284.258403 193.0
[M+K]+ 305.187738 172.3
[M+H-H2O]+ 249.221840 166.7
[M+HCOO]- 311.222781 180.4
[M+CH3COO]- 325.238431 208.9
[M+Na-2H]- 287.199246 175.6
[M]+ 266.22403142 176.9
[M]- 266.22512858 176.9
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.