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
2
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 161.4
[M+Na]+ 255.13555 169.7
[M-H]- 231.13905 161.9
[M+NH4]+ 250.18015 173.5
[M+K]+ 271.10949 165.8
[M+H-H2O]+ 215.14359 147.7
[M+HCOO]- 277.14453 169.4
[M+CH3COO]- 291.16018 214.8
[M+Na-2H]- 253.12100 160.2
[M]+ 232.14578 155.4
[M]- 232.14688 155.4
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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