CID 10443953

10e-pentadecen-6,8-diynoic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
CCCC/C=C/C#CC#CCCCCC(=O)O
InChI
InChI=1S/C15H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,11-14H2,1H3,(H,16,17)/b6-5+
InChIKey
VLPCQMHZJMTSIW-AATRIKPKSA-N
Compound name
(E)-pentadec-10-en-6,8-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 161.6
[M+Na]+ 255.13555 169.7
[M-H]- 231.13905 161.2
[M+NH4]+ 250.18015 173.3
[M+K]+ 271.10949 165.2
[M+H-H2O]+ 215.14359 148.1
[M+HCOO]- 277.14453 169.3
[M+CH3COO]- 291.16018 213.0
[M+Na-2H]- 253.12100 160.9
[M]+ 232.14578 154.9
[M]- 232.14688 154.9
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.