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 135.6
[M+Na]+ 206.03994 142.1
[M-H]- 182.04344 132.7
[M+NH4]+ 201.08454 147.0
[M+K]+ 222.01388 143.7
[M+H-H2O]+ 166.04798 122.9
[M+HCOO]- 228.04892 149.9
[M+CH3COO]- 242.06457 181.5
[M+Na-2H]- 204.02539 138.6
[M]+ 183.05017 138.9
[M]- 183.05127 138.9
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