CID 24729549

1000340-22-6

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CC1=C(C=C2C(=CNC2=N1)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O2/c1-4-7(12(13)14)2-5-6(9)3-10-8(5)11-4/h2-3H,9H2,1H3,(H,10,11)
InChIKey
ZTTVWMZUDPJIRK-UHFFFAOYSA-N
Compound name
6-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.072006 134.7
[M+Na]+ 215.053948 144.8
[M-H]- 191.057454 136.4
[M+NH4]+ 210.098553 153.0
[M+K]+ 231.027888 137.0
[M+H-H2O]+ 175.061990 132.7
[M+HCOO]- 237.062931 159.2
[M+CH3COO]- 251.078581 176.9
[M+Na-2H]- 213.039396 143.9
[M]+ 192.06418142 132.6
[M]- 192.06527858 132.6
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

No patent data available for this compound.