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

5
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 152.7
[M+Na]+ 245.12605 158.2
[M-H]- 221.12955 154.2
[M+NH4]+ 240.17065 169.1
[M+K]+ 261.09999 157.0
[M+H-H2O]+ 205.13409 145.8
[M+HCOO]- 267.13503 172.5
[M+CH3COO]- 281.15068 191.1
[M+Na-2H]- 243.11150 156.9
[M]+ 222.13628 152.7
[M]- 222.13738 152.7
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