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]+ 233.153606 161.6
[M+Na]+ 255.135548 169.7
[M-H]- 231.139054 161.2
[M+NH4]+ 250.180153 173.3
[M+K]+ 271.109488 165.2
[M+H-H2O]+ 215.143590 148.1
[M+HCOO]- 277.144531 169.3
[M+CH3COO]- 291.160181 213.0
[M+Na-2H]- 253.120996 160.9
[M]+ 232.14578142 154.9
[M]- 232.14687858 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.