CID 122163981

Ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate hydrochloride

Structural Information

Molecular Formula
C9H14F3NO2
SMILES
CCOC(=O)C(C1CCC1)(C(F)(F)F)N
InChI
InChI=1S/C9H14F3NO2/c1-2-15-7(14)8(13,9(10,11)12)6-4-3-5-6/h6H,2-5,13H2,1H3
InChIKey
YWAYOSHSFQETOD-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09766 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10494 150.2
[M+Na]+ 248.08688 154.3
[M-H]- 224.09038 148.9
[M+NH4]+ 243.13148 161.1
[M+K]+ 264.06082 156.3
[M+H-H2O]+ 208.09492 137.3
[M+HCOO]- 270.09586 164.9
[M+CH3COO]- 284.11151 193.0
[M+Na-2H]- 246.07233 152.6
[M]+ 225.09711 153.0
[M]- 225.09821 153.0
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.