CID 64260693

1-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C6H8F3NO2
SMILES
C1C(CN1CC(F)(F)F)C(=O)O
InChI
InChI=1S/C6H8F3NO2/c7-6(8,9)3-10-1-4(2-10)5(11)12/h4H,1-3H2,(H,11,12)
InChIKey
JNYQZTQYRYZPSA-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

183.05072 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05800 148.8
[M+Na]+ 206.03994 151.2
[M+NH4]+ 201.08454 149.4
[M+K]+ 222.01388 149.6
[M-H]- 182.04344 140.7
[M+Na-2H]- 204.02539 146.9
[M]+ 183.05017 145.3
[M]- 183.05127 145.3
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

patents stripe