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: 2
References: 748
Patents: 236.17763 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe