CID 91647450

5-azidopyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=C(C=NC=C1N=[N+]=[N-])C(=O)O
InChI
InChI=1S/C6H4N4O2/c7-10-9-5-1-4(6(11)12)2-8-3-5/h1-3H,(H,11,12)
InChIKey
XBKPBOMXMIAGNW-UHFFFAOYSA-N
Compound name
5-azidopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

164.03343 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04071 128.7
[M+Na]+ 187.02265 141.1
[M+NH4]+ 182.06725 136.2
[M+K]+ 202.99659 137.9
[M-H]- 163.02615 132.4
[M+Na-2H]- 185.00810 136.2
[M]+ 164.03288 131.1
[M]- 164.03398 131.1
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

No patent data available for this compound.