CID 24704733

5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H8F3NO3
SMILES
C1C(CN(C1=O)CC(F)(F)F)C(=O)O
InChI
InChI=1S/C7H8F3NO3/c8-7(9,10)3-11-2-4(6(13)14)1-5(11)12/h4H,1-3H2,(H,13,14)
InChIKey
PWWZFHSEJSRPFA-UHFFFAOYSA-N
Compound name
5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.04562 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05290 138.8
[M+Na]+ 234.03484 147.1
[M-H]- 210.03834 136.0
[M+NH4]+ 229.07944 157.3
[M+K]+ 250.00878 145.3
[M+H-H2O]+ 194.04288 131.4
[M+HCOO]- 256.04382 154.3
[M+CH3COO]- 270.05947 181.5
[M+Na-2H]- 232.02029 140.0
[M]+ 211.04507 133.3
[M]- 211.04617 133.3
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