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 138.3
[M+Na]+ 206.03994 144.6
[M-H]- 182.04344 136.6
[M+NH4]+ 201.08454 152.3
[M+K]+ 222.01388 146.0
[M+H-H2O]+ 166.04798 127.3
[M+HCOO]- 228.04892 154.0
[M+CH3COO]- 242.06457 182.7
[M+Na-2H]- 204.02539 141.4
[M]+ 183.05017 139.5
[M]- 183.05127 139.5
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.