CID 64146978

Ethyl 2-amino-4-(pyridin-4-yl)butanoate

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCOC(=O)C(CCC1=CC=NC=C1)N
InChI
InChI=1S/C11H16N2O2/c1-2-15-11(14)10(12)4-3-9-5-7-13-8-6-9/h5-8,10H,2-4,12H2,1H3
InChIKey
JHIKUUJJSIPFSN-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-pyridin-4-ylbutanoate
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 148.2
[M+Na]+ 231.11041 153.6
[M-H]- 207.11391 149.5
[M+NH4]+ 226.15501 164.9
[M+K]+ 247.08435 152.1
[M+H-H2O]+ 191.11845 140.7
[M+HCOO]- 253.11939 169.9
[M+CH3COO]- 267.13504 188.4
[M+Na-2H]- 229.09586 152.1
[M]+ 208.12064 148.4
[M]- 208.12174 148.4
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

No patent data available for this compound.