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

34
Patents

241.09258 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09986 153.8
[M+Na]+ 264.08180 160.3
[M-H]- 240.08530 151.2
[M+NH4]+ 259.12640 165.2
[M+K]+ 280.05574 162.4
[M+H-H2O]+ 224.08984 142.8
[M+HCOO]- 286.09078 165.8
[M+CH3COO]- 300.10643 190.4
[M+Na-2H]- 262.06725 157.5
[M]+ 241.09203 159.1
[M]- 241.09313 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