CID 112139

69070-61-7

Structural Information

Molecular Formula
C15H26O2
SMILES
CCC(C)C(=O)OC(C)(CCC=C(C)C)C=C
InChI
InChI=1S/C15H26O2/c1-7-13(5)14(16)17-15(6,8-2)11-9-10-12(3)4/h8,10,13H,2,7,9,11H2,1,3-6H3
InChIKey
MLJNGBGMEMFTPV-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-1,6-dien-3-yl 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 160.7
[M+Na]+ 261.18250 165.2
[M-H]- 237.18600 160.2
[M+NH4]+ 256.22710 178.7
[M+K]+ 277.15644 163.6
[M+H-H2O]+ 221.19054 155.9
[M+HCOO]- 283.19148 178.3
[M+CH3COO]- 297.20713 197.0
[M+Na-2H]- 259.16795 160.3
[M]+ 238.19273 163.8
[M]- 238.19383 163.8
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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