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]+ 190.061106 136.0
[M+Na]+ 212.043048 145.1
[M-H]- 188.046554 137.4
[M+NH4]+ 207.087653 154.4
[M+K]+ 228.016988 137.0
[M+H-H2O]+ 172.051090 133.6
[M+HCOO]- 234.052031 160.0
[M+CH3COO]- 248.067681 172.0
[M+Na-2H]- 210.028496 146.2
[M]+ 189.05328142 134.3
[M]- 189.05437858 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

patents stripe