CID 165827466

En300-1903046

Structural Information

Molecular Formula
C13H20F3NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1C(CC(=O)O)C(F)(F)F
InChI
InChI=1S/C13H20F3NO4/c1-12(2,3)21-11(20)17-6-4-5-9(17)8(7-10(18)19)13(14,15)16/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKey
CVVHSEHTQGRYGC-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.13443 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14171 168.2
[M+Na]+ 334.12365 173.0
[M-H]- 310.12715 164.6
[M+NH4]+ 329.16825 182.5
[M+K]+ 350.09759 172.0
[M+H-H2O]+ 294.13169 160.6
[M+HCOO]- 356.13263 178.5
[M+CH3COO]- 370.14828 200.6
[M+Na-2H]- 332.10910 166.2
[M]+ 311.13388 163.9
[M]- 311.13498 163.9
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.