CID 4005811

2580183-95-3

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCOC(=O)C(CC1=CC=CC(=N1)C)N
InChI
InChI=1S/C11H16N2O2/c1-3-15-11(14)10(12)7-9-6-4-5-8(2)13-9/h4-6,10H,3,7,12H2,1-2H3
InChIKey
MWRZYXWVRGYAQY-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(6-methylpyridin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.9
[M+Na]+ 231.11041 154.3
[M-H]- 207.11391 149.6
[M+NH4]+ 226.15501 165.0
[M+K]+ 247.08435 152.8
[M+H-H2O]+ 191.11845 140.7
[M+HCOO]- 253.11939 169.6
[M+CH3COO]- 267.13504 189.6
[M+Na-2H]- 229.09586 151.2
[M]+ 208.12064 148.5
[M]- 208.12174 148.5
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

No patent data available for this compound.