CID 42614495

1197231-86-9

Structural Information

Molecular Formula
C9H12N2O2
SMILES
COC(=O)CC(C1=CC=CC=N1)N
InChI
InChI=1S/C9H12N2O2/c1-13-9(12)6-7(10)8-4-2-3-5-11-8/h2-5,7H,6,10H2,1H3
InChIKey
RDWYWFGIODKUFS-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-pyridin-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.9
[M+Na]+ 203.079088 145.3
[M-H]- 179.082594 140.6
[M+NH4]+ 198.123693 156.8
[M+K]+ 219.053028 144.2
[M+H-H2O]+ 163.087130 131.9
[M+HCOO]- 225.088071 161.3
[M+CH3COO]- 239.103721 182.3
[M+Na-2H]- 201.064536 144.0
[M]+ 180.08932142 138.4
[M]- 180.09041858 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