CID 155822122

2551115-43-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1223 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12958 163.1
[M+Na]+ 291.11152 169.7
[M-H]- 267.11502 164.6
[M+NH4]+ 286.15612 172.0
[M+K]+ 307.08546 170.6
[M+H-H2O]+ 251.11956 150.4
[M+HCOO]- 313.12050 177.6
[M+CH3COO]- 327.13615 196.3
[M+Na-2H]- 289.09697 166.7
[M]+ 268.12175 171.4
[M]- 268.12285 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.