CID 86810415

1076224-00-4

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 167.3
[M+Na]+ 302.14752 173.2
[M-H]- 278.15102 169.6
[M+NH4]+ 297.19212 180.9
[M+K]+ 318.12146 171.3
[M+H-H2O]+ 262.15556 158.7
[M+HCOO]- 324.15650 182.6
[M+CH3COO]- 338.17215 197.1
[M+Na-2H]- 300.13297 168.1
[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