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 136.0
[M+Na]+ 212.04305 145.1
[M-H]- 188.04655 137.4
[M+NH4]+ 207.08765 154.4
[M+K]+ 228.01699 137.0
[M+H-H2O]+ 172.05109 133.6
[M+HCOO]- 234.05203 160.0
[M+CH3COO]- 248.06768 172.0
[M+Na-2H]- 210.02850 146.2
[M]+ 189.05328 134.3
[M]- 189.05438 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