CID 145874273

2375269-25-1

Structural Information

Molecular Formula
C11H14F3N3O2
SMILES
CCOC(=O)C1=CN(N=C1C(F)(F)F)C2CCNC2
InChI
InChI=1S/C11H14F3N3O2/c1-2-19-10(18)8-6-17(7-3-4-15-5-7)16-9(8)11(12,13)14/h6-7,15H,2-5H2,1H3
InChIKey
LNKCLTPOEGOWKE-UHFFFAOYSA-N
Compound name
ethyl 1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.10382 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11110 164.4
[M+Na]+ 300.09304 169.5
[M+NH4]+ 295.13764 167.3
[M+K]+ 316.06698 169.9
[M-H]- 276.09654 158.7
[M+Na-2H]- 298.07849 164.8
[M]+ 277.10327 162.8
[M]- 277.10437 162.8
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.