CID 515950

1-methyl-5-nitroindoline-2,3-dione

Structural Information

Molecular Formula
C9H6N2O4
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O
InChI
InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3
InChIKey
JPTDPTOWOMFBRY-UHFFFAOYSA-N
Compound name
1-methyl-5-nitroindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

114
Patents

206.03276 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04004 138.4
[M+Na]+ 229.02198 148.6
[M-H]- 205.02548 142.8
[M+NH4]+ 224.06658 158.5
[M+K]+ 244.99592 142.3
[M+H-H2O]+ 189.03002 137.4
[M+HCOO]- 251.03096 162.7
[M+CH3COO]- 265.04661 179.8
[M+Na-2H]- 227.00743 145.4
[M]+ 206.03221 138.5
[M]- 206.03331 138.5
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.