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]+ 198.073636 132.3
[M+Na]+ 220.055578 141.0
[M-H]- 196.059084 132.7
[M+NH4]+ 215.100183 146.3
[M+K]+ 236.029518 138.8
[M+H-H2O]+ 180.063620 124.7
[M+HCOO]- 242.064561 150.1
[M+CH3COO]- 256.080211 187.4
[M+Na-2H]- 218.041026 137.6
[M]+ 197.06581142 130.3
[M]- 197.06690858 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.