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-cyanopyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.06947 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 143.4
[M+Na]+ 214.05869 151.7
[M-H]- 190.06219 143.5
[M+NH4]+ 209.10329 158.2
[M+K]+ 230.03263 149.4
[M+H-H2O]+ 174.06673 130.0
[M+HCOO]- 236.06767 160.6
[M+CH3COO]- 250.08332 195.1
[M+Na-2H]- 212.04414 146.6
[M]+ 191.06892 136.2
[M]- 191.07002 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