CID 4210406

3-pyridin-2-yl-l-alanine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1289
Patents

166.07423 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 134.6
[M+Na]+ 189.063448 140.9
[M-H]- 165.066954 135.0
[M+NH4]+ 184.108053 152.2
[M+K]+ 205.037388 139.1
[M+H-H2O]+ 149.071490 128.0
[M+HCOO]- 211.072431 155.8
[M+CH3COO]- 225.088081 177.4
[M+Na-2H]- 187.048896 139.7
[M]+ 166.07368142 131.9
[M]- 166.07477858 131.9
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