CID 130707358

(2s)-2-amino-3-(6-cyanopyridin-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=CC(=NC=C1C[C@@H](C(=O)O)N)C#N
InChI
InChI=1S/C9H9N3O2/c10-4-7-2-1-6(5-12-7)3-8(11)9(13)14/h1-2,5,8H,3,11H2,(H,13,14)/t8-/m0/s1
InChIKey
RJKGEVSAJMPOOO-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(6-cyano-3-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.06947 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 143.4
[M+Na]+ 214.058688 151.7
[M-H]- 190.062194 143.5
[M+NH4]+ 209.103293 158.2
[M+K]+ 230.032628 149.4
[M+H-H2O]+ 174.066730 130.0
[M+HCOO]- 236.067671 160.6
[M+CH3COO]- 250.083321 195.1
[M+Na-2H]- 212.044136 146.6
[M]+ 191.06892142 136.2
[M]- 191.07001858 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe