CID 137943345

2287267-98-3

Structural Information

Molecular Formula
C8H12F3NO3
SMILES
COC(=O)C(C1COC1)NCC(F)(F)F
InChI
InChI=1S/C8H12F3NO3/c1-14-7(13)6(5-2-15-3-5)12-4-8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKey
BVWYNDMFEHKITQ-UHFFFAOYSA-N
Compound name
methyl 2-(oxetan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07693 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08421 147.5
[M+Na]+ 250.06615 151.2
[M-H]- 226.06965 147.3
[M+NH4]+ 245.11075 157.1
[M+K]+ 266.04009 155.3
[M+H-H2O]+ 210.07419 133.9
[M+HCOO]- 272.07513 163.1
[M+CH3COO]- 286.09078 193.1
[M+Na-2H]- 248.05160 150.6
[M]+ 227.07638 152.9
[M]- 227.07748 152.9
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.