CID 156153464

Tert-butyl 3-(2-aminopyridin-4-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=CC(=NC=C2)N
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-7-10(8-16)9-4-5-15-11(14)6-9/h4-6,10H,7-8H2,1-3H3,(H2,14,15)
InChIKey
WVFQOTQQRUEXMP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-4-pyridinyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

249.14772 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 161.7
[M+Na]+ 272.13694 166.9
[M-H]- 248.14044 165.0
[M+NH4]+ 267.18154 169.5
[M+K]+ 288.11088 168.1
[M+H-H2O]+ 232.14498 148.0
[M+HCOO]- 294.14592 178.8
[M+CH3COO]- 308.16157 198.8
[M+Na-2H]- 270.12239 164.4
[M]+ 249.14717 169.4
[M]- 249.14827 169.4
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.