CID 18404603

3-(6-aminopyridin-3-yl)propanoic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC(=NC=C1CCC(=O)O)N
InChI
InChI=1S/C8H10N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1,3,5H,2,4H2,(H2,9,10)(H,11,12)
InChIKey
DNYMWQXLIYJTIO-UHFFFAOYSA-N
Compound name
3-(6-aminopyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

166.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.1
[M+Na]+ 189.06345 141.6
[M-H]- 165.06695 134.8
[M+NH4]+ 184.10805 152.1
[M+K]+ 205.03739 139.3
[M+H-H2O]+ 149.07149 127.6
[M+HCOO]- 211.07243 156.3
[M+CH3COO]- 225.08808 177.7
[M+Na-2H]- 187.04890 139.7
[M]+ 166.07368 132.4
[M]- 166.07478 132.4
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