CID 6437404

Geranyl beta,beta-dimethylacrylate

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=CCC/C(=C/COC(=O)C=C(C)C)/C)C
InChI
InChI=1S/C15H24O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,11H,6,8,10H2,1-5H3/b14-9+
InChIKey
SSTYFRKINRGOEX-NTEUORMPSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

236.17763 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 160.9
[M+Na]+ 259.166848 165.2
[M-H]- 235.170354 160.3
[M+NH4]+ 254.211453 178.9
[M+K]+ 275.140788 163.0
[M+H-H2O]+ 219.174890 155.6
[M+HCOO]- 281.175831 179.3
[M+CH3COO]- 295.191481 195.4
[M+Na-2H]- 257.152296 158.5
[M]+ 236.17708142 162.9
[M]- 236.17817858 162.9
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

patents stripe