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]+ 192.04038 134.1
[M+Na]+ 214.02232 144.7
[M-H]- 190.02582 137.3
[M+NH4]+ 209.06692 153.2
[M+K]+ 229.99626 138.2
[M+H-H2O]+ 174.03036 131.7
[M+HCOO]- 236.03130 160.0
[M+CH3COO]- 250.04695 175.5
[M+Na-2H]- 212.00777 144.7
[M]+ 191.03255 135.7
[M]- 191.03365 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.