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 138.3
[M+Na]+ 202.06501 145.1
[M-H]- 178.06851 139.4
[M+NH4]+ 197.10961 155.2
[M+K]+ 218.03895 147.3
[M+H-H2O]+ 162.07305 128.8
[M+HCOO]- 224.07399 157.8
[M+CH3COO]- 238.08964 184.8
[M+Na-2H]- 200.05046 142.6
[M]+ 179.07524 144.0
[M]- 179.07634 144.0
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

No patent data available for this compound.