CID 90424256

Tert-butyl 3-(trifluoroacetyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H14F3NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)C(F)(F)F
InChI
InChI=1S/C10H14F3NO3/c1-9(2,3)17-8(16)14-4-6(5-14)7(15)10(11,12)13/h6H,4-5H2,1-3H3
InChIKey
IPUIZEKVOYQPOL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2,2,2-trifluoroacetyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

253.09258 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09986 155.5
[M+Na]+ 276.08180 161.1
[M-H]- 252.08530 153.8
[M+NH4]+ 271.12640 164.9
[M+K]+ 292.05574 163.6
[M+H-H2O]+ 236.08984 142.6
[M+HCOO]- 298.09078 167.8
[M+CH3COO]- 312.10643 196.1
[M+Na-2H]- 274.06725 156.7
[M]+ 253.09203 161.3
[M]- 253.09313 161.3
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