CID 366009

Nsc634182

Structural Information

Molecular Formula
C12H9NO2
SMILES
C#CC1=CC(=CC=C1)N2C(=O)CCC2=O
InChI
InChI=1S/C12H9NO2/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12(13)15/h1,3-5,8H,6-7H2
InChIKey
GDFBYFFSWFEBHI-UHFFFAOYSA-N
Compound name
1-(3-ethynylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 143.0
[M+Na]+ 222.05254 154.4
[M-H]- 198.05604 146.4
[M+NH4]+ 217.09714 160.4
[M+K]+ 238.02648 148.6
[M+H-H2O]+ 182.06058 130.0
[M+HCOO]- 244.06152 159.7
[M+CH3COO]- 258.07717 191.3
[M+Na-2H]- 220.03799 144.6
[M]+ 199.06277 136.3
[M]- 199.06387 136.3
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.