CID 135512881

3-aminomethylene-5-nitrooxindole

Structural Information

Molecular Formula
C9H7N3O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)C=N
InChI
InChI=1S/C9H7N3O3/c10-4-7-6-3-5(12(14)15)1-2-8(6)11-9(7)13/h1-4,10-11,13H
InChIKey
BQANONZRYGWKDF-UHFFFAOYSA-N
Compound name
3-methanimidoyl-5-nitro-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05602 136.7
[M+Na]+ 228.03796 146.0
[M-H]- 204.04146 138.7
[M+NH4]+ 223.08256 155.1
[M+K]+ 244.01190 137.6
[M+H-H2O]+ 188.04600 135.4
[M+HCOO]- 250.04694 161.6
[M+CH3COO]- 264.06259 176.4
[M+Na-2H]- 226.02341 145.9
[M]+ 205.04819 134.3
[M]- 205.04929 134.3
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

No patent data available for this compound.