CID 53412447

1190322-73-6

Structural Information

Molecular Formula
C8H7N3O2
SMILES
CC1=CC2=CC(=CN=C2N1)[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O2/c1-5-2-6-3-7(11(12)13)4-9-8(6)10-5/h2-4H,1H3,(H,9,10)
InChIKey
IWFJRRNZXJEJGF-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

177.05383 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 131.5
[M+Na]+ 200.04305 145.7
[M+NH4]+ 195.08765 139.6
[M+K]+ 216.01699 144.2
[M-H]- 176.04655 133.6
[M+Na-2H]- 198.02850 137.9
[M]+ 177.05328 133.9
[M]- 177.05438 133.9
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