CID 101411738

(e)-10-hydroxy-2-decene-4,6-diynoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C(CC#CC#C/C=C/C(=O)O)CO

InChI

InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,5,7,9H2,(H,12,13)/b8-6+

InChIKey

FFWLSJVIZWBSTJ-SOFGYWHQSA-N

Compound name

(E)-10-hydroxydec-2-en-4,6-diynoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 178.06299 Da
Monoisotopic Mass: 1.0
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]+	179.070266	151.6
[M+Na]+	201.052208	160.6
[M-H]-	177.055714	150.8
[M+NH4]+	196.096813	164.1
[M+K]+	217.026148	156.9
[M+H-H2O]+	161.060250	138.7
[M+HCOO]-	223.061191	159.4
[M+CH3COO]-	237.076841	203.0
[M+Na-2H]-	199.037656	152.0
[M]+	178.06244142	143.3
[M]-	178.06353858	143.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.