CID 132364899

2155855-29-9

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
C1C(CC1(F)F)(CN)C(=O)O
InChI
InChI=1S/C6H9F2NO2/c7-6(8)1-5(2-6,3-9)4(10)11/h1-3,9H2,(H,10,11)
InChIKey
MPIFRGGHGNHZPR-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3,3-difluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06013 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 135.3
[M+Na]+ 188.04935 142.0
[M-H]- 164.05285 135.2
[M+NH4]+ 183.09395 151.9
[M+K]+ 204.02329 143.5
[M+H-H2O]+ 148.05739 126.1
[M+HCOO]- 210.05833 153.6
[M+CH3COO]- 224.07398 180.0
[M+Na-2H]- 186.03480 139.5
[M]+ 165.05958 138.8
[M]- 165.06068 138.8
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.