CID 135512881

159212-49-4

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]+ 206.056016 136.7
[M+Na]+ 228.037958 146.0
[M-H]- 204.041464 138.7
[M+NH4]+ 223.082563 155.1
[M+K]+ 244.011898 137.6
[M+H-H2O]+ 188.046000 135.4
[M+HCOO]- 250.046941 161.6
[M+CH3COO]- 264.062591 176.4
[M+Na-2H]- 226.023406 145.9
[M]+ 205.04819142 134.3
[M]- 205.04928858 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.