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
1
Annotation Hits

0
References

7
Patents

236.17763 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 160.9
[M+Na]+ 259.16685 165.2
[M-H]- 235.17035 160.3
[M+NH4]+ 254.21145 178.9
[M+K]+ 275.14079 163.0
[M+H-H2O]+ 219.17489 155.6
[M+HCOO]- 281.17583 179.3
[M+CH3COO]- 295.19148 195.4
[M+Na-2H]- 257.15230 158.5
[M]+ 236.17708 162.9
[M]- 236.17818 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