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]+ 250.154996 161.7
[M+Na]+ 272.136938 166.9
[M-H]- 248.140444 165.0
[M+NH4]+ 267.181543 169.5
[M+K]+ 288.110878 168.1
[M+H-H2O]+ 232.144980 148.0
[M+HCOO]- 294.145921 178.8
[M+CH3COO]- 308.161571 198.8
[M+Na-2H]- 270.122386 164.4
[M]+ 249.14717142 169.4
[M]- 249.14826858 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

patents stripe