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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 161.1
[M+Na]+ 213.01583 169.1
[M-H]- 189.01933 163.9
[M+NH4]+ 208.06043 169.0
[M+K]+ 228.98977 166.6
[M+H-H2O]+ 173.02387 149.5
[M+HCOO]- 235.02481 164.5
[M+CH3COO]- 249.04046 227.6
[M+Na-2H]- 211.00128 159.3
[M]+ 190.02606 154.7
[M]- 190.02716 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe