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]+ 208.11437 149.2
[M+Na]+ 230.09631 153.9
[M-H]- 206.09981 149.5
[M+NH4]+ 225.14091 162.8
[M+K]+ 246.07025 156.0
[M+H-H2O]+ 190.10435 137.7
[M+HCOO]- 252.10529 166.9
[M+CH3COO]- 266.12094 191.7
[M+Na-2H]- 228.08176 149.7
[M]+ 207.10654 154.4
[M]- 207.10764 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.