CID 2762987

3-nitropyridine-4-carbaldehyde

Structural Information

Molecular Formula
C6H4N2O3
SMILES
C1=CN=CC(=C1C=O)[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O3/c9-4-5-1-2-7-3-6(5)8(10)11/h1-4H
InChIKey
CPHKHQSASVFAHL-UHFFFAOYSA-N
Compound name
3-nitropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

152.02219 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02947 125.2
[M+Na]+ 175.01141 133.9
[M-H]- 151.01491 128.2
[M+NH4]+ 170.05601 144.2
[M+K]+ 190.98535 128.8
[M+H-H2O]+ 135.01945 123.6
[M+HCOO]- 197.02039 151.1
[M+CH3COO]- 211.03604 168.3
[M+Na-2H]- 172.99686 135.4
[M]+ 152.02164 124.5
[M]- 152.02274 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe