CID 19703064

3-(2-nitroethenyl)-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC2=C(NC=C2/C=C/[N+](=O)[O-])N=C1
InChI
InChI=1S/C9H7N3O2/c13-12(14)5-3-7-6-11-9-8(7)2-1-4-10-9/h1-6H,(H,10,11)/b5-3+
InChIKey
JWGKSDIHBMBDEO-HWKANZROSA-N
Compound name
3-[(E)-2-nitroethenyl]-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.05383 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 135.5
[M+Na]+ 212.04305 149.2
[M+NH4]+ 207.08765 143.2
[M+K]+ 228.01699 147.2
[M-H]- 188.04655 137.3
[M+Na-2H]- 210.02850 141.7
[M]+ 189.05328 137.6
[M]- 189.05438 137.6
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