CID 2760504

197088-84-9

Structural Information

Molecular Formula
C9H12N2O2
SMILES
COC(=O)[C@@H](CC1=CN=CC=C1)N
InChI
InChI=1S/C9H12N2O2/c1-13-9(12)8(10)5-7-3-2-4-11-6-7/h2-4,6,8H,5,10H2,1H3/t8-/m1/s1
InChIKey
JQPVBKDLAQDFFY-MRVPVSSYSA-N
Compound name
methyl (2R)-2-amino-3-pyridin-3-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.9
[M+Na]+ 203.07909 145.3
[M-H]- 179.08259 140.6
[M+NH4]+ 198.12369 156.8
[M+K]+ 219.05303 144.2
[M+H-H2O]+ 163.08713 131.9
[M+HCOO]- 225.08807 161.3
[M+CH3COO]- 239.10372 182.3
[M+Na-2H]- 201.06454 144.0
[M]+ 180.08932 138.4
[M]- 180.09042 138.4
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