CID 53403669

1396967-66-0

Structural Information

Molecular Formula

C₁₂H₂₀N₄O₂

SMILES

CC(C)(C)OC(=O)N1CCCC1C2=CC(=NN2)N

InChI

InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-6-4-5-9(16)8-7-10(13)15-14-8/h7,9H,4-6H2,1-3H3,(H3,13,14,15)

InChIKey

KBOWWRPKCWLRQA-UHFFFAOYSA-N

Compound name

tert-butyl 2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 252.15863 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]+	253.165906	161.0
[M+Na]+	275.147848	167.0
[M-H]-	251.151354	162.5
[M+NH4]+	270.192453	176.6
[M+K]+	291.121788	164.8
[M+H-H2O]+	235.155890	153.2
[M+HCOO]-	297.156831	177.8
[M+CH3COO]-	311.172481	191.7
[M+Na-2H]-	273.133296	160.5
[M]+	252.15808142	157.7
[M]-	252.15917858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe