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

0
Patents

179.07579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08307 139.8
[M+Na]+ 202.06501 145.3
[M-H]- 178.06851 140.4
[M+NH4]+ 197.10961 154.5
[M+K]+ 218.03895 147.9
[M+H-H2O]+ 162.07305 128.6
[M+HCOO]- 224.07399 158.2
[M+CH3COO]- 238.08964 185.9
[M+Na-2H]- 200.05046 141.4
[M]+ 179.07524 144.3
[M]- 179.07634 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.