CID 46738147

1029413-53-3

Structural Information

Molecular Formula

C₁₂H₂₀N₄O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C=N2)N

InChI

InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-5-4-10(8-15)16-7-9(13)6-14-16/h6-7,10H,4-5,8,13H2,1-3H3

InChIKey

FGJHGFJRZPJLDN-UHFFFAOYSA-N

Compound name

tert-butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 252.15863 Da
Monoisotopic Mass: 0.5
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]+	253.165906	160.5
[M+Na]+	275.147848	166.9
[M-H]-	251.151354	163.3
[M+NH4]+	270.192453	176.7
[M+K]+	291.121788	165.6
[M+H-H2O]+	235.155890	152.4
[M+HCOO]-	297.156831	178.7
[M+CH3COO]-	311.172481	194.1
[M+Na-2H]-	273.133296	160.4
[M]+	252.15808142	159.0
[M]-	252.15917858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe