CID 56773879

1022931-73-2

Structural Information

Molecular Formula
C12H16F3N3O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)C(F)(F)F
InChI
InChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-8-7(6-18)9(17-16-8)12(13,14)15/h4-6H2,1-3H3,(H,16,17)
InChIKey
MQTQWJKOXQOZDC-UHFFFAOYSA-N
Compound name
tert-butyl 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

291.11948 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12676 166.6
[M+Na]+ 314.10870 172.1
[M+NH4]+ 309.15330 169.5
[M+K]+ 330.08264 171.3
[M-H]- 290.11220 159.7
[M+Na-2H]- 312.09415 166.0
[M]+ 291.11893 164.8
[M]- 291.12003 164.8
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

patents stripe