CID 5352705

(z)-8-decene-4,6-diyn-1-yl 3-methylbutanoate

Structural Information

Molecular Formula
C15H20O2
SMILES
C/C=C\C#CC#CCCCOC(=O)CC(C)C
InChI
InChI=1S/C15H20O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,14H,10-13H2,1-3H3/b5-4-
InChIKey
KWRUHFXUFNAAJG-PLNGDYQASA-N
Compound name
[(Z)-dec-8-en-4,6-diynyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 172.0
[M+Na]+ 255.13555 178.9
[M+NH4]+ 250.18015 171.3
[M+K]+ 271.10949 168.8
[M-H]- 231.13905 159.1
[M+Na-2H]- 253.12100 168.2
[M]+ 232.14578 167.9
[M]- 232.14688 167.9
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.