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-fluoropyridin-2-yl)oxyazetidine-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]+ 269.12958 160.3
[M+Na]+ 291.11152 166.5
[M-H]- 267.11502 162.8
[M+NH4]+ 286.15612 167.9
[M+K]+ 307.08546 168.0
[M+H-H2O]+ 251.11956 146.2
[M+HCOO]- 313.12050 176.3
[M+CH3COO]- 327.13615 199.2
[M+Na-2H]- 289.09697 163.5
[M]+ 268.12175 170.1
[M]- 268.12285 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.