CID 121207752

Methyl 2-amino-2-(3,3-difluorocyclobutyl)acetate hydrochloride

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)C(C1CC(C1)(F)F)N
InChI
InChI=1S/C7H11F2NO2/c1-12-6(11)5(10)4-2-7(8,9)3-4/h4-5H,2-3,10H2,1H3
InChIKey
MKVZHTGFRLEIKV-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(3,3-difluorocyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.07579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 139.8
[M+Na]+ 202.065008 145.3
[M-H]- 178.068514 140.4
[M+NH4]+ 197.109613 154.5
[M+K]+ 218.038948 147.9
[M+H-H2O]+ 162.073050 128.6
[M+HCOO]- 224.073991 158.2
[M+CH3COO]- 238.089641 185.9
[M+Na-2H]- 200.050456 141.4
[M]+ 179.07524142 144.3
[M]- 179.07633858 144.3
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.