CID 83226594

Tert-butyl 2-amino-3-(pyridin-4-yl)propanoate

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C)(C)OC(=O)C(CC1=CC=NC=C1)N
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)10(13)8-9-4-6-14-7-5-9/h4-7,10H,8,13H2,1-3H3
InChIKey
NJVCJKBLTKHDAF-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3-pyridin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.9
[M+Na]+ 245.12605 161.5
[M+NH4]+ 240.17065 158.2
[M+K]+ 261.09999 157.5
[M-H]- 221.12955 152.0
[M+Na-2H]- 243.11150 156.8
[M]+ 222.13628 153.0
[M]- 222.13738 153.0
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