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]+ 165.040706 127.5
[M+Na]+ 187.022648 135.2
[M-H]- 163.026154 131.7
[M+NH4]+ 182.067253 146.0
[M+K]+ 202.996588 129.5
[M+H-H2O]+ 147.030690 124.9
[M+HCOO]- 209.031631 156.8
[M+CH3COO]- 223.047281 176.9
[M+Na-2H]- 185.008096 138.9
[M]+ 164.03288142 124.7
[M]- 164.03397858 124.7
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.