CID 6437207

Geranyl nonanoate

Structural Information

Molecular Formula
C19H34O2
SMILES
CCCCCCCCC(=O)OC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C19H34O2/c1-5-6-7-8-9-10-14-19(20)21-16-15-18(4)13-11-12-17(2)3/h12,15H,5-11,13-14,16H2,1-4H3/b18-15+
InChIKey
WVOMTKJRDMPOCF-OBGWFSINSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] nonanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

294.2559 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.26318 181.4
[M+Na]+ 317.24512 183.8
[M-H]- 293.24862 179.8
[M+NH4]+ 312.28972 197.0
[M+K]+ 333.21906 180.7
[M+H-H2O]+ 277.25316 175.0
[M+HCOO]- 339.25410 199.1
[M+CH3COO]- 353.26975 208.0
[M+Na-2H]- 315.23057 177.9
[M]+ 294.25535 186.3
[M]- 294.25645 186.3
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