CID 47003598

3-amino-3-(trifluoromethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8F3NO2
SMILES
C1C(CC1(C(F)(F)F)N)C(=O)O
InChI
InChI=1S/C6H8F3NO2/c7-6(8,9)5(10)1-3(2-5)4(11)12/h3H,1-2,10H2,(H,11,12)
InChIKey
PTMDUYZZCSFYHA-UHFFFAOYSA-N
Compound name
3-amino-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05072 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05800 149.0
[M+Na]+ 206.03994 150.4
[M+NH4]+ 201.08454 150.9
[M+K]+ 222.01388 147.6
[M-H]- 182.04344 141.6
[M+Na-2H]- 204.02539 148.2
[M]+ 183.05017 145.6
[M]- 183.05127 145.6
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.