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 159.0
[M+Na]+ 300.09304 166.3
[M-H]- 276.09654 156.9
[M+NH4]+ 295.13764 173.8
[M+K]+ 316.06698 163.4
[M+H-H2O]+ 260.10108 148.8
[M+HCOO]- 322.10202 172.5
[M+CH3COO]- 336.11767 193.1
[M+Na-2H]- 298.07849 157.7
[M]+ 277.10327 153.8
[M]- 277.10437 153.8
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.