CID 53355705

6-methoxy-3-nitropyridine-2-carbaldehyde

Structural Information

Molecular Formula
C7H6N2O4
SMILES
COC1=NC(=C(C=C1)[N+](=O)[O-])C=O
InChI
InChI=1S/C7H6N2O4/c1-13-7-3-2-6(9(11)12)5(4-10)8-7/h2-4H,1H3
InChIKey
DRDDJBHQIKITNV-UHFFFAOYSA-N
Compound name
6-methoxy-3-nitropyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

182.03276 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 132.5
[M+Na]+ 205.02198 141.5
[M-H]- 181.02548 135.7
[M+NH4]+ 200.06658 150.5
[M+K]+ 220.99592 136.7
[M+H-H2O]+ 165.03002 130.7
[M+HCOO]- 227.03096 158.3
[M+CH3COO]- 241.04661 174.6
[M+Na-2H]- 203.00743 141.7
[M]+ 182.03221 133.9
[M]- 182.03331 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