CID 76156400

3-(trifluoromethyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H8F3NO2
SMILES
C1CNC(C1C(F)(F)F)C(=O)O
InChI
InChI=1S/C6H8F3NO2/c7-6(8,9)3-1-2-10-4(3)5(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKey
XBIQIKRXEMTIOI-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.05072 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05800 142.2
[M+Na]+ 206.03994 147.1
[M+NH4]+ 201.08454 146.2
[M+K]+ 222.01388 146.2
[M-H]- 182.04344 135.9
[M+Na-2H]- 204.02539 141.9
[M]+ 183.05017 140.4
[M]- 183.05127 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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