CID 138987441

2792185-92-1

Structural Information

Molecular Formula
C9H15F2NO2
SMILES
CCOC(=O)C(CC1CC(C1)(F)F)N
InChI
InChI=1S/C9H15F2NO2/c1-2-14-8(13)7(12)3-6-4-9(10,11)5-6/h6-7H,2-5,12H2,1H3
InChIKey
RZKDREAOPBUPHK-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10709 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.114366 149.2
[M+Na]+ 230.096308 153.9
[M-H]- 206.099814 149.5
[M+NH4]+ 225.140913 162.8
[M+K]+ 246.070248 156.0
[M+H-H2O]+ 190.104350 137.7
[M+HCOO]- 252.105291 166.9
[M+CH3COO]- 266.120941 191.7
[M+Na-2H]- 228.081756 149.7
[M]+ 207.10654142 154.4
[M]- 207.10763858 154.4
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.