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

19
Patents

165.06013 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 140.1
[M+Na]+ 188.04935 143.3
[M+NH4]+ 183.09395 144.9
[M+K]+ 204.02329 137.9
[M-H]- 164.05285 135.2
[M+Na-2H]- 186.03480 142.5
[M]+ 165.05958 137.9
[M]- 165.06068 137.9
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