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 174.2
[M+Na]+ 314.18389 178.8
[M-H]- 290.18739 175.9
[M+NH4]+ 309.22849 189.5
[M+K]+ 330.15783 175.6
[M+H-H2O]+ 274.19193 166.3
[M+HCOO]- 336.19287 186.1
[M+CH3COO]- 350.20852 197.5
[M+Na-2H]- 312.16934 172.5
[M]+ 291.19412 170.0
[M]- 291.19522 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.