CID 9543628

9-hydroxy-7e-nonene-3,5-diynoic acid

Structural Information

Molecular Formula
C9H8O3
SMILES
C(/C=C/C#CC#CCC(=O)O)O
InChI
InChI=1S/C9H8O3/c10-8-6-4-2-1-3-5-7-9(11)12/h4,6,10H,7-8H2,(H,11,12)/b6-4+
InChIKey
DSMORYZYOBMZIC-GQCTYLIASA-N
Compound name
(E)-9-hydroxynon-7-en-3,5-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.04735 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 149.0
[M+Na]+ 187.03657 158.3
[M-H]- 163.04007 148.3
[M+NH4]+ 182.08117 161.8
[M+K]+ 203.01051 154.7
[M+H-H2O]+ 147.04461 136.1
[M+HCOO]- 209.04555 157.0
[M+CH3COO]- 223.06120 201.0
[M+Na-2H]- 185.02202 149.6
[M]+ 164.04680 140.4
[M]- 164.04790 140.4
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

No patent data available for this compound.