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]+ 235.071336 148.4
[M+Na]+ 257.053278 156.6
[M-H]- 233.056784 154.6
[M+NH4]+ 252.097883 166.0
[M+K]+ 273.027218 150.1
[M+H-H2O]+ 217.061320 146.2
[M+HCOO]- 279.062261 172.2
[M+CH3COO]- 293.077911 184.4
[M+Na-2H]- 255.038726 152.7
[M]+ 234.06351142 146.5
[M]- 234.06460858 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.