CID 138991379

2309462-17-5

Structural Information

Molecular Formula

C₁₃H₂₂N₄O₂

SMILES

CC(C)(C)OC(=O)NC1=C(NN=C1)C2CCCCN2

InChI

InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-10-8-15-17-11(10)9-6-4-5-7-14-9/h8-9,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)

InChIKey

FKYCZXSBUFEAIG-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1743 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.181576	165.4
[M+Na]+	289.163518	168.8
[M-H]-	265.167024	164.7
[M+NH4]+	284.208123	177.6
[M+K]+	305.137458	165.5
[M+H-H2O]+	249.171560	156.8
[M+HCOO]-	311.172501	178.6
[M+CH3COO]-	325.188151	191.8
[M+Na-2H]-	287.148966	167.0
[M]+	266.17375142	158.9
[M]-	266.17484858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.