CID 165897452

En300-1154259

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[c]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]+ 292.20195 170.6
[M+Na]+ 314.18389 178.3
[M+NH4]+ 309.22849 176.8
[M+K]+ 330.15783 177.8
[M-H]- 290.18739 170.2
[M+Na-2H]- 312.16934 172.3
[M]+ 291.19412 171.1
[M]- 291.19522 171.1
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.