CID 121604758

Methyl 1-amino-3,3-difluorocyclobutane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
COC(=O)C1(CC(C1)(F)F)N
InChI
InChI=1S/C6H9F2NO2/c1-11-4(10)5(9)2-6(7,8)3-5/h2-3,9H2,1H3
InChIKey
SENFAHFMIONFQR-UHFFFAOYSA-N
Compound name
methyl 1-amino-3,3-difluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

165.06013 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.067406 133.7
[M+Na]+ 188.049348 140.9
[M-H]- 164.052854 135.0
[M+NH4]+ 183.093953 151.1
[M+K]+ 204.023288 143.3
[M+H-H2O]+ 148.057390 124.4
[M+HCOO]- 210.058331 153.5
[M+CH3COO]- 224.073981 181.9
[M+Na-2H]- 186.034796 138.5
[M]+ 165.05958142 139.0
[M]- 165.06067858 139.0
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

patents stripe