CID 105450404

2248390-84-1

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
COC(=O)C(C1CC1)(C(F)(F)F)N
InChI
InChI=1S/C7H10F3NO2/c1-13-5(12)6(11,4-2-3-4)7(8,9)10/h4H,2-3,11H2,1H3
InChIKey
MFHBTUPGKIQGDD-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-cyclopropyl-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 147.7
[M+Na]+ 220.05558 153.2
[M+NH4]+ 215.10018 152.2
[M+K]+ 236.02952 152.6
[M-H]- 196.05908 148.6
[M+Na-2H]- 218.04103 150.7
[M]+ 197.06581 149.1
[M]- 197.06691 149.1
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.