CID 118798639

(2s,4s)-methyl 4-hydroxy-4-(trifluoromethyl)pyrrolidine-2-carboxylate hcl

Structural Information

Molecular Formula
C7H10F3NO3
SMILES
COC(=O)[C@@H]1C[C@](CN1)(C(F)(F)F)O
InChI
InChI=1S/C7H10F3NO3/c1-14-5(12)4-2-6(13,3-11-4)7(8,9)10/h4,11,13H,2-3H2,1H3/t4-,6-/m0/s1
InChIKey
ZRQGXCNWQSEMBG-NJGYIYPDSA-N
Compound name
methyl (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06128 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06856 140.6
[M+Na]+ 236.05050 148.2
[M-H]- 212.05400 136.3
[M+NH4]+ 231.09510 160.2
[M+K]+ 252.02444 146.4
[M+H-H2O]+ 196.05854 134.2
[M+HCOO]- 258.05948 154.4
[M+CH3COO]- 272.07513 177.6
[M+Na-2H]- 234.03595 143.3
[M]+ 213.06073 133.8
[M]- 213.06183 133.8
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.