CID 9543650

4e-undecene-6,8,10-triynoic acid

Structural Information

Molecular Formula
C11H8O2
SMILES
C#CC#CC#C/C=C/CCC(=O)O
InChI
InChI=1S/C11H8O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,7-8H,9-10H2,(H,12,13)/b8-7+
InChIKey
FENUSKPOOCOKOM-BQYQJAHWSA-N
Compound name
(E)-undec-4-en-6,8,10-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.05243 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05971 162.6
[M+Na]+ 195.04165 170.6
[M-H]- 171.04515 165.0
[M+NH4]+ 190.08625 170.6
[M+K]+ 211.01559 167.0
[M+H-H2O]+ 155.04969 151.3
[M+HCOO]- 217.05063 165.5
[M+CH3COO]- 231.06628 226.2
[M+Na-2H]- 193.02710 160.8
[M]+ 172.05188 154.9
[M]- 172.05298 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

No literature data available for this compound.

Patent stripe

patents stripe