CID 50986409

Tert-butyl 3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C9H14F3NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(F)(F)F)O
InChI
InChI=1S/C9H14F3NO3/c1-7(2,3)16-6(14)13-4-8(15,5-13)9(10,11)12/h15H,4-5H2,1-3H3
InChIKey
JNDWDWDLVLVLHA-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

241.09258 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.099856 153.8
[M+Na]+ 264.081798 160.3
[M-H]- 240.085304 151.2
[M+NH4]+ 259.126403 165.2
[M+K]+ 280.055738 162.4
[M+H-H2O]+ 224.089840 142.8
[M+HCOO]- 286.090781 165.8
[M+CH3COO]- 300.106431 190.4
[M+Na-2H]- 262.067246 157.5
[M]+ 241.09203142 159.1
[M]- 241.09312858 159.1
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

patents stripe