CID 138991175

2167677-73-6

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CC=CC=N2)N
InChI
InChI=1S/C13H19N3O2/c1-12(2,3)18-11(17)16-8-13(14,9-16)10-6-4-5-7-15-10/h4-7H,8-9,14H2,1-3H3
InChIKey
KUYBSRCEBUTZKY-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-pyridin-2-ylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.14772 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 162.5
[M+Na]+ 272.13694 167.7
[M-H]- 248.14044 165.8
[M+NH4]+ 267.18154 172.0
[M+K]+ 288.11088 169.1
[M+H-H2O]+ 232.14498 149.7
[M+HCOO]- 294.14592 179.6
[M+CH3COO]- 308.16157 197.2
[M+Na-2H]- 270.12239 167.0
[M]+ 249.14717 170.1
[M]- 249.14827 170.1
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