CID 131060417

At47557

Structural Information

Molecular Formula
C6H8F3NO3
SMILES
C1[C@H](NC[C@@]1(C(F)(F)F)O)C(=O)O
InChI
InChI=1S/C6H8F3NO3/c7-6(8,9)5(13)1-3(4(11)12)10-2-5/h3,10,13H,1-2H2,(H,11,12)/t3-,5-/m0/s1
InChIKey
MMPKIKNVXAVLQW-UCORVYFPSA-N
Compound name
(2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04562 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05290 136.6
[M+Na]+ 222.03484 144.1
[M-H]- 198.03834 131.0
[M+NH4]+ 217.07944 155.9
[M+K]+ 238.00878 141.6
[M+H-H2O]+ 182.04288 130.5
[M+HCOO]- 244.04382 149.2
[M+CH3COO]- 258.05947 172.8
[M+Na-2H]- 220.02029 139.3
[M]+ 199.04507 127.6
[M]- 199.04617 127.6
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.