CID 18496

6-aminonicotinic acid

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1=CC(=NC=C1C(=O)O)N
InChI
InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKey
ZCIFWRHIEBXBOY-UHFFFAOYSA-N
Compound name
6-aminopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

3118
Patents

138.04292 Da
Monoisotopic Mass

1.4
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