CID 75480853

Tert-butyl 3-[(3-fluoropyridin-2-yl)oxy]azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H17FN2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)OC2=C(C=CC=N2)F
InChI
InChI=1S/C13H17FN2O3/c1-13(2,3)19-12(17)16-7-9(8-16)18-11-10(14)5-4-6-15-11/h4-6,9H,7-8H2,1-3H3
InChIKey
PHCZBEBTMURAEJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1223 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.129576 160.3
[M+Na]+ 291.111518 166.5
[M-H]- 267.115024 162.8
[M+NH4]+ 286.156123 167.9
[M+K]+ 307.085458 168.0
[M+H-H2O]+ 251.119560 146.2
[M+HCOO]- 313.120501 176.3
[M+CH3COO]- 327.136151 199.2
[M+Na-2H]- 289.096966 163.5
[M]+ 268.12175142 170.1
[M]- 268.12284858 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

No patent data available for this compound.