CID 5367785

Geranyl tiglate

Structural Information

Molecular Formula
C15H24O2
SMILES
C/C=C(\C)/C(=O)OC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+
InChIKey
OGHBUHJLMHQMHS-KRDNBFTESA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

573
Patents

236.17763 Da
Monoisotopic Mass

4.7
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

literature stripe

Patent stripe

patents stripe