CID 120648

303-08-2

Structural Information

Molecular Formula
C13H10N2O4
SMILES
CC1C(C(=O)NC1=O)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H10N2O4/c1-6-9(11(17)14-10(6)16)15-12(18)7-4-2-3-5-8(7)13(15)19/h2-6,9H,1H3,(H,14,16,17)
InChIKey
KYGHXLVSGCXJPQ-UHFFFAOYSA-N
Compound name
2-(4-methyl-2,5-dioxopyrrolidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 155.1
[M+Na]+ 281.05328 165.9
[M-H]- 257.05678 160.1
[M+NH4]+ 276.09788 173.6
[M+K]+ 297.02722 161.4
[M+H-H2O]+ 241.06132 149.1
[M+HCOO]- 303.06226 174.2
[M+CH3COO]- 317.07791 193.2
[M+Na-2H]- 279.03873 154.0
[M]+ 258.06351 154.5
[M]- 258.06461 154.5
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.