CID 137939373

2375267-99-3

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)C1(CC(C1)(F)F)CN
InChI
InChI=1S/C7H11F2NO2/c1-12-5(11)6(4-10)2-7(8,9)3-6/h2-4,10H2,1H3
InChIKey
VTQLOYOGXOBCPI-UHFFFAOYSA-N
Compound name
methyl 1-(aminomethyl)-3,3-difluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

179.07579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08307 144.4
[M+Na]+ 202.06501 147.4
[M+NH4]+ 197.10961 149.0
[M+K]+ 218.03895 141.7
[M-H]- 178.06851 139.4
[M+Na-2H]- 200.05046 146.5
[M]+ 179.07524 142.1
[M]- 179.07634 142.1
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.