CID 5365850

Geranyl valerate

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCCC(=O)OC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
InChIKey
CVSWGLSBJFKWMW-SDNWHVSQSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

231
Patents

238.19328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 162.5
[M+Na]+ 261.18250 170.5
[M+NH4]+ 256.22710 168.1
[M+K]+ 277.15644 164.6
[M-H]- 237.18600 160.4
[M+Na-2H]- 259.16795 162.9
[M]+ 238.19273 162.6
[M]- 238.19383 162.6
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

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