CID 122241582

1076224-02-6

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)C#C
InChI
InChI=1S/C15H21N3O2/c1-5-12-10-16-18(11-12)13-6-8-17(9-7-13)14(19)20-15(2,3)4/h1,10-11,13H,6-9H2,2-4H3
InChIKey
PMUVUSISNQCUDP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-ethynylpyrazol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 165.3
[M+Na]+ 298.15262 174.8
[M+NH4]+ 293.19722 167.5
[M+K]+ 314.12656 168.8
[M-H]- 274.15612 157.2
[M+Na-2H]- 296.13807 166.1
[M]+ 275.16285 163.3
[M]- 275.16395 163.3
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.