CID 137964278

Tert-butyl 4-(5-chloro-1h-pyrazol-3-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H20ClN3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)Cl
InChI
InChI=1S/C13H20ClN3O2/c1-13(2,3)19-12(18)17-6-4-9(5-7-17)10-8-11(14)16-15-10/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKey
XOMBZFWEFTZRND-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-chloro-1H-pyrazol-5-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13168 168.1
[M+Na]+ 308.11362 174.5
[M-H]- 284.11712 169.0
[M+NH4]+ 303.15822 181.8
[M+K]+ 324.08756 170.3
[M+H-H2O]+ 268.12166 160.1
[M+HCOO]- 330.12260 177.1
[M+CH3COO]- 344.13825 194.1
[M+Na-2H]- 306.09907 168.3
[M]+ 285.12385 166.4
[M]- 285.12495 166.4
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.