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

24
Patents

279.1583 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.165576 167.3
[M+Na]+ 302.147518 173.2
[M-H]- 278.151024 169.6
[M+NH4]+ 297.192123 180.9
[M+K]+ 318.121458 171.3
[M+H-H2O]+ 262.155560 158.7
[M+HCOO]- 324.156501 182.6
[M+CH3COO]- 338.172151 197.1
[M+Na-2H]- 300.132966 168.1
[M]+ 279.15775142 166.7
[M]- 279.15884858 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