CID 54593150

1306605-24-2

Structural Information

Molecular Formula
C12H19F3N2O3
SMILES
C1CC(N(C1)C(=O)OCC(F)(F)F)CN2CCOCC2
InChI
InChI=1S/C12H19F3N2O3/c13-12(14,15)9-20-11(18)17-3-1-2-10(17)8-16-4-6-19-7-5-16/h10H,1-9H2
InChIKey
IGPXMAMQNIOXMC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.13477 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14205 166.4
[M+Na]+ 319.12399 170.2
[M-H]- 295.12749 165.5
[M+NH4]+ 314.16859 178.8
[M+K]+ 335.09793 169.4
[M+H-H2O]+ 279.13203 155.8
[M+HCOO]- 341.13297 176.4
[M+CH3COO]- 355.14862 197.0
[M+Na-2H]- 317.10944 165.9
[M]+ 296.13422 159.2
[M]- 296.13532 159.2
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.