CID 165950156

Tert-butyl 3-(6-fluoropyridin-3-yl)-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C13H17FN2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CN=C(C=C2)F)O
InChI
InChI=1S/C13H17FN2O3/c1-12(2,3)19-11(17)16-7-13(18,8-16)9-4-5-10(14)15-6-9/h4-6,18H,7-8H2,1-3H3
InChIKey
APMUTAKXYYLDSU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(6-fluoro-3-pyridinyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1223 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.129576 163.1
[M+Na]+ 291.111518 169.7
[M-H]- 267.115024 164.6
[M+NH4]+ 286.156123 172.0
[M+K]+ 307.085458 170.6
[M+H-H2O]+ 251.119560 150.4
[M+HCOO]- 313.120501 177.6
[M+CH3COO]- 327.136151 196.3
[M+Na-2H]- 289.096966 166.7
[M]+ 268.12175142 171.4
[M]- 268.12284858 171.4
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.