CID 3050260

66064-07-1

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CN1C(=O)CC(C1=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O4/c1-12-10(14)6-9(11(12)15)7-3-2-4-8(5-7)13(16)17/h2-5,9H,6H2,1H3
InChIKey
KDSICYPCWQEEKR-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 148.4
[M+Na]+ 257.05328 156.6
[M-H]- 233.05678 154.6
[M+NH4]+ 252.09788 166.0
[M+K]+ 273.02722 150.1
[M+H-H2O]+ 217.06132 146.2
[M+HCOO]- 279.06226 172.2
[M+CH3COO]- 293.07791 184.4
[M+Na-2H]- 255.03873 152.7
[M]+ 234.06351 146.5
[M]- 234.06461 146.5
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.