CID 86810415

N-(n-boc-piperidino)pyrazole-4-carboxaldehyde

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)C=O
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-6-4-12(5-7-16)17-9-11(10-18)8-15-17/h8-10,12H,4-7H2,1-3H3
InChIKey
DSBDTGZARKKWJQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

279.1583 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16558 166.0
[M+Na]+ 302.14752 175.2
[M+NH4]+ 297.19212 171.0
[M+K]+ 318.12146 173.2
[M-H]- 278.15102 165.3
[M+Na-2H]- 300.13297 169.4
[M]+ 279.15775 166.7
[M]- 279.15885 166.7
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