CID 139026513

2361636-29-3

Structural Information

Molecular Formula
C7H8F3NO4
SMILES
C1C(=O)N(CC1(CC(=O)O)C(F)(F)F)O
InChI
InChI=1S/C7H8F3NO4/c8-7(9,10)6(2-5(13)14)1-4(12)11(15)3-6/h15H,1-3H2,(H,13,14)
InChIKey
SXXFSMGLMHKZBJ-UHFFFAOYSA-N
Compound name
2-[1-hydroxy-5-oxo-3-(trifluoromethyl)pyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04054 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04782 140.7
[M+Na]+ 250.02976 149.3
[M-H]- 226.03326 136.7
[M+NH4]+ 245.07436 159.8
[M+K]+ 266.00370 147.4
[M+H-H2O]+ 210.03780 134.6
[M+HCOO]- 272.03874 154.9
[M+CH3COO]- 286.05439 180.7
[M+Na-2H]- 248.01521 143.1
[M]+ 227.03999 135.1
[M]- 227.04109 135.1
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.