CID 240119

Linalyl isovalerate

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C
InChI
InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3
InChIKey
WCDGWAIZRYMVOW-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

178
Patents

238.19328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 161.6
[M+Na]+ 261.18250 169.3
[M+NH4]+ 256.22710 167.1
[M+K]+ 277.15644 164.7
[M-H]- 237.18600 158.9
[M+Na-2H]- 259.16795 162.1
[M]+ 238.19273 161.6
[M]- 238.19383 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