CID 9543623

10-hydroxy-8e-decene-2,4,6-triynoic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
C(CC#CC#CC#CC(=O)O)CO
InChI
InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,5,7,9H2,(H,12,13)
InChIKey
XHUBNORIRAJQLO-UHFFFAOYSA-N
Compound name
10-hydroxydeca-2,4,6-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 162.3
[M+Na]+ 199.03657 170.0
[M-H]- 175.04007 164.2
[M+NH4]+ 194.08117 170.0
[M+K]+ 215.01051 166.9
[M+H-H2O]+ 159.04461 151.1
[M+HCOO]- 221.04555 164.8
[M+CH3COO]- 235.06120 225.0
[M+Na-2H]- 197.02202 160.5
[M]+ 176.04680 154.5
[M]- 176.04790 154.5
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.