CID 63710865

1-[(propan-2-yloxy)carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H14F3NO4
SMILES
CC(C)OC(=O)N1CCC(C1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H14F3NO4/c1-6(2)18-8(17)14-4-3-9(5-14,7(15)16)10(11,12)13/h6H,3-5H2,1-2H3,(H,15,16)
InChIKey
VXLWVWCFGWGOJP-UHFFFAOYSA-N
Compound name
1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0875 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09478 154.2
[M+Na]+ 292.07672 160.8
[M+NH4]+ 287.12132 151.1
[M+K]+ 308.05066 172.2
[M-H]- 268.08022 160.2
[M+Na-2H]- 290.06217 147.6
[M]+ 269.08695 167.1
[M]- 269.08805 191.4
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.