CID 4179726

5-aminopyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1=CC(=NC=C1N)C(=O)O
InChI
InChI=1S/C6H6N2O2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,7H2,(H,9,10)
InChIKey
WDJARUKOMOGTHA-UHFFFAOYSA-N
Compound name
5-aminopyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

838
Patents

138.04292 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 124.9
[M+Na]+ 161.03214 133.3
[M-H]- 137.03564 126.0
[M+NH4]+ 156.07674 144.1
[M+K]+ 177.00608 131.5
[M+H-H2O]+ 121.04018 118.8
[M+HCOO]- 183.04112 147.7
[M+CH3COO]- 197.05677 171.6
[M+Na-2H]- 159.01759 131.6
[M]+ 138.04237 122.5
[M]- 138.04347 122.5
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