CID 137943762

2287237-19-6

Structural Information

Molecular Formula
C11H16F3NO5
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)OC(F)(F)F
InChI
InChI=1S/C11H16F3NO5/c1-10(2,3)20-9(18)15-5-6(19-11(12,13)14)4-7(15)8(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7+/m1/s1
InChIKey
CRUABPPTMKHIHH-RQJHMYQMSA-N
Compound name
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethoxy)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09805 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10533 161.4
[M+Na]+ 322.08727 168.0
[M-H]- 298.09077 158.4
[M+NH4]+ 317.13187 176.5
[M+K]+ 338.06121 167.6
[M+H-H2O]+ 282.09531 154.2
[M+HCOO]- 344.09625 173.5
[M+CH3COO]- 358.11190 197.2
[M+Na-2H]- 320.07272 161.2
[M]+ 299.09750 158.9
[M]- 299.09860 158.9
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.