CID 201056

3154-91-4

Structural Information

Molecular Formula

C₁₀H₆O₄

SMILES

C#CCOC(=O)C#CC(=O)OCC#C

InChI

InChI=1S/C10H6O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h1-2H,7-8H2

InChIKey

VKORBUAULXCWCB-UHFFFAOYSA-N

Compound name

bis(prop-2-ynyl) but-2-ynedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 190.02661 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]+	191.03389	187.1
[M+Na]+	213.01583	191.3
[M+NH4]+	208.06043	184.9
[M+K]+	228.98977	183.3
[M-H]-	189.01933	175.9
[M+Na-2H]-	211.00128	182.3
[M]+	190.02606	183.3
[M]-	190.02716	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe