CID 90425161

1628733-94-7

Structural Information

Molecular Formula
C10H16F3NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C(F)(F)F)O
InChI
InChI=1S/C10H16F3NO3/c1-9(2,3)17-8(16)14-4-6(5-14)7(15)10(11,12)13/h6-7,15H,4-5H2,1-3H3
InChIKey
SCVZPELRUYYZAH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

255.10823 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11551 158.4
[M+Na]+ 278.09745 163.3
[M-H]- 254.10095 155.3
[M+NH4]+ 273.14205 167.1
[M+K]+ 294.07139 165.6
[M+H-H2O]+ 238.10549 145.6
[M+HCOO]- 300.10643 169.0
[M+CH3COO]- 314.12208 194.6
[M+Na-2H]- 276.08290 159.0
[M]+ 255.10768 163.0
[M]- 255.10878 163.0
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