CID 708370

N-(5-nitro-ortho-tolyl)-maleimide

Structural Information

Molecular Formula
C11H8N2O4
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C=CC2=O
InChI
InChI=1S/C11H8N2O4/c1-7-2-3-8(13(16)17)6-9(7)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKey
UNJCZKYOAQGDIQ-UHFFFAOYSA-N
Compound name
1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.0484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.055676 146.9
[M+Na]+ 255.037618 156.0
[M-H]- 231.041124 153.5
[M+NH4]+ 250.082223 164.6
[M+K]+ 271.011558 149.3
[M+H-H2O]+ 215.045660 144.6
[M+HCOO]- 277.046601 172.1
[M+CH3COO]- 291.062251 184.0
[M+Na-2H]- 253.023066 152.0
[M]+ 232.04785142 146.3
[M]- 232.04894858 146.3
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

patents stripe