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

6
Patents

222.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 152.7
[M+Na]+ 245.126048 158.2
[M-H]- 221.129554 154.2
[M+NH4]+ 240.170653 169.1
[M+K]+ 261.099988 157.0
[M+H-H2O]+ 205.134090 145.8
[M+HCOO]- 267.135031 172.5
[M+CH3COO]- 281.150681 191.1
[M+Na-2H]- 243.111496 156.9
[M]+ 222.13628142 152.7
[M]- 222.13737858 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