CID 2762825

4-nitropicolinic acid

Structural Information

Molecular Formula
C6H4N2O4
SMILES
C1=CN=C(C=C1[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C6H4N2O4/c9-6(10)5-3-4(8(11)12)1-2-7-5/h1-3H,(H,9,10)
InChIKey
USTVSOYPMQZLSA-UHFFFAOYSA-N
Compound name
4-nitropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

168.0171 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.024376 127.9
[M+Na]+ 191.006318 135.7
[M-H]- 167.009824 129.5
[M+NH4]+ 186.050923 145.3
[M+K]+ 206.980258 130.6
[M+H-H2O]+ 151.014360 126.4
[M+HCOO]- 213.015301 151.5
[M+CH3COO]- 227.030951 168.3
[M+Na-2H]- 188.991766 136.6
[M]+ 168.01655142 126.0
[M]- 168.01764858 126.0
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