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-aminopyridin-2-yl)oxyazetidine-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]+ 266.14992 164.0
[M+Na]+ 288.13186 168.9
[M-H]- 264.13536 167.2
[M+NH4]+ 283.17646 171.0
[M+K]+ 304.10580 170.7
[M+H-H2O]+ 248.13990 150.0
[M+HCOO]- 310.14084 181.2
[M+CH3COO]- 324.15649 200.9
[M+Na-2H]- 286.11731 166.8
[M]+ 265.14209 173.0
[M]- 265.14319 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.