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 132.3
[M+Na]+ 220.05558 141.0
[M-H]- 196.05908 132.7
[M+NH4]+ 215.10018 146.3
[M+K]+ 236.02952 138.8
[M+H-H2O]+ 180.06362 124.7
[M+HCOO]- 242.06456 150.1
[M+CH3COO]- 256.08021 187.4
[M+Na-2H]- 218.04103 137.6
[M]+ 197.06581 130.3
[M]- 197.06691 130.3
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.