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
5
Annotation Hits

2
References

709
Patents

236.17763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 161.7
[M+Na]+ 259.16685 169.5
[M+NH4]+ 254.21145 167.0
[M+K]+ 275.14079 164.3
[M-H]- 235.17035 159.2
[M+Na-2H]- 257.15230 161.7
[M]+ 236.17708 161.6
[M]- 236.17818 161.6
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