CID 76849559

3-nitroimidazo[1,2-a]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H5N3O3
SMILES
C1=CC2=NC(=C(N2C=C1)[N+](=O)[O-])C=O
InChI
InChI=1S/C8H5N3O3/c12-5-6-8(11(13)14)10-4-2-1-3-7(10)9-6/h1-5H
InChIKey
CTQZKZVVZRWOFS-UHFFFAOYSA-N
Compound name
3-nitroimidazo[1,2-a]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0331 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.040376 134.1
[M+Na]+ 214.022318 144.7
[M-H]- 190.025824 137.3
[M+NH4]+ 209.066923 153.2
[M+K]+ 229.996258 138.2
[M+H-H2O]+ 174.030360 131.7
[M+HCOO]- 236.031301 160.0
[M+CH3COO]- 250.046951 175.5
[M+Na-2H]- 212.007766 144.7
[M]+ 191.03255142 135.7
[M]- 191.03364858 135.7
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.