CID 121604944

2994335-71-4

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
COC(=O)C1CC(C1)(C(F)(F)F)N
InChI
InChI=1S/C7H10F3NO2/c1-13-5(12)4-2-6(11,3-4)7(8,9)10/h4H,2-3,11H2,1H3
InChIKey
HZGFBKWMMGXMLK-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 141.7
[M+Na]+ 220.05558 148.0
[M-H]- 196.05908 141.2
[M+NH4]+ 215.10018 155.9
[M+K]+ 236.02952 150.2
[M+H-H2O]+ 180.06362 130.4
[M+HCOO]- 242.06456 158.6
[M+CH3COO]- 256.08021 187.4
[M+Na-2H]- 218.04103 144.8
[M]+ 197.06581 145.0
[M]- 197.06691 145.0
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

No patent data available for this compound.