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-methyl-2-pyridinyl)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]+ 209.128466 147.9
[M+Na]+ 231.110408 154.3
[M-H]- 207.113914 149.6
[M+NH4]+ 226.155013 165.0
[M+K]+ 247.084348 152.8
[M+H-H2O]+ 191.118450 140.7
[M+HCOO]- 253.119391 169.6
[M+CH3COO]- 267.135041 189.6
[M+Na-2H]- 229.095856 151.2
[M]+ 208.12064142 148.5
[M]- 208.12173858 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.