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

20
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 133.7
[M+Na]+ 188.04935 140.9
[M-H]- 164.05285 135.0
[M+NH4]+ 183.09395 151.1
[M+K]+ 204.02329 143.3
[M+H-H2O]+ 148.05739 124.4
[M+HCOO]- 210.05833 153.5
[M+CH3COO]- 224.07398 181.9
[M+Na-2H]- 186.03480 138.5
[M]+ 165.05958 139.0
[M]- 165.06068 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