CID 5352701

(2e,8z)-decadiene-4,6-diyn-1-yl 3-methylbutanoate

Structural Information

Molecular Formula
C15H18O2
SMILES
C/C=C\C#CC#C/C=C/COC(=O)CC(C)C
InChI
InChI=1S/C15H18O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,10-11,14H,12-13H2,1-3H3/b5-4-,11-10+
InChIKey
FPIBENZMUTVCEK-JWPKELMXSA-N
Compound name
[(2E,8Z)-deca-2,8-dien-4,6-diynyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 162.5
[M+Na]+ 253.11990 171.1
[M-H]- 229.12340 163.1
[M+NH4]+ 248.16450 174.7
[M+K]+ 269.09384 166.8
[M+H-H2O]+ 213.12794 148.9
[M+HCOO]- 275.12888 170.6
[M+CH3COO]- 289.14453 213.8
[M+Na-2H]- 251.10535 161.1
[M]+ 230.13013 155.9
[M]- 230.13123 155.9
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

No patent data available for this compound.