CID 165897452

Tert-butyl 4-{1h,4h,5h,6h-cyclopenta[c]pyrazol-3-yl}piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NNC3=C2CCC3
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-11(8-10-19)14-12-5-4-6-13(12)17-18-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
HVGXUUJUOIIHDO-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.201946 174.2
[M+Na]+ 314.183888 178.8
[M-H]- 290.187394 175.9
[M+NH4]+ 309.228493 189.5
[M+K]+ 330.157828 175.6
[M+H-H2O]+ 274.191930 166.3
[M+HCOO]- 336.192871 186.1
[M+CH3COO]- 350.208521 197.5
[M+Na-2H]- 312.169336 172.5
[M]+ 291.19412142 170.0
[M]- 291.19521858 170.0
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.