CID 146096825

2411217-02-0

Structural Information

Molecular Formula
C8H12F3NO3
SMILES
COC(=O)C1(CC(C1)(C(F)(F)F)OC)N
InChI
InChI=1S/C8H12F3NO3/c1-14-5(13)6(12)3-7(4-6,15-2)8(9,10)11/h3-4,12H2,1-2H3
InChIKey
ABJQEBIHFRTBAV-UHFFFAOYSA-N
Compound name
methyl 1-amino-3-methoxy-3-(trifluoromethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07693 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08421 149.0
[M+Na]+ 250.06615 155.7
[M-H]- 226.06965 148.8
[M+NH4]+ 245.11075 164.0
[M+K]+ 266.04009 158.3
[M+H-H2O]+ 210.07419 139.0
[M+HCOO]- 272.07513 165.7
[M+CH3COO]- 286.09078 192.1
[M+Na-2H]- 248.05160 153.1
[M]+ 227.07638 154.6
[M]- 227.07748 154.6
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.