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]+ 214.068556 140.6
[M+Na]+ 236.050498 148.2
[M-H]- 212.054004 136.3
[M+NH4]+ 231.095103 160.2
[M+K]+ 252.024438 146.4
[M+H-H2O]+ 196.058540 134.2
[M+HCOO]- 258.059481 154.4
[M+CH3COO]- 272.075131 177.6
[M+Na-2H]- 234.035946 143.3
[M]+ 213.06073142 133.8
[M]- 213.06182858 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.