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]+ 259.071336 155.1
[M+Na]+ 281.053278 165.9
[M-H]- 257.056784 160.1
[M+NH4]+ 276.097883 173.6
[M+K]+ 297.027218 161.4
[M+H-H2O]+ 241.061320 149.1
[M+HCOO]- 303.062261 174.2
[M+CH3COO]- 317.077911 193.2
[M+Na-2H]- 279.038726 154.0
[M]+ 258.06351142 154.5
[M]- 258.06460858 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.