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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.054626	162.3
[M+Na]+	199.036568	170.0
[M-H]-	175.040074	164.2
[M+NH4]+	194.081173	170.0
[M+K]+	215.010508	166.9
[M+H-H2O]+	159.044610	151.1
[M+HCOO]-	221.045551	164.8
[M+CH3COO]-	235.061201	225.0
[M+Na-2H]-	197.022016	160.5
[M]+	176.04680142	154.5
[M]-	176.04789858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.