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]+ 198.073636 141.7
[M+Na]+ 220.055578 148.0
[M-H]- 196.059084 141.2
[M+NH4]+ 215.100183 155.9
[M+K]+ 236.029518 150.2
[M+H-H2O]+ 180.063620 130.4
[M+HCOO]- 242.064561 158.6
[M+CH3COO]- 256.080211 187.4
[M+Na-2H]- 218.041026 144.8
[M]+ 197.06581142 145.0
[M]- 197.06690858 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.