CID 152953

64090-98-8

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC(=CN=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
InChIKey
DFZVZEMNPGABKO-ZETCQYMHSA-N
Compound name
(2S)-2-amino-3-pyridin-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5623
Patents

166.07423 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.6
[M+Na]+ 189.06345 144.8
[M+NH4]+ 184.10805 141.4
[M+K]+ 205.03739 140.7
[M-H]- 165.06695 135.0
[M+Na-2H]- 187.04890 139.9
[M]+ 166.07368 135.7
[M]- 166.07478 135.7
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

patents stripe