CID 91811848

1955522-72-1

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)OC2=NC=CC(=C2)N
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-7-10(8-16)18-11-6-9(14)4-5-15-11/h4-6,10H,7-8H2,1-3H3,(H2,14,15)
InChIKey
LVTPUKSOCGFZRD-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(4-amino-2-pyridinyl)oxy]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.149916 164.0
[M+Na]+ 288.131858 168.9
[M-H]- 264.135364 167.2
[M+NH4]+ 283.176463 171.0
[M+K]+ 304.105798 170.7
[M+H-H2O]+ 248.139900 150.0
[M+HCOO]- 310.140841 181.2
[M+CH3COO]- 324.156491 200.9
[M+Na-2H]- 286.117306 166.8
[M]+ 265.14209142 173.0
[M]- 265.14318858 173.0
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

No patent data available for this compound.