CID 71305925

1251000-58-4

Structural Information

Molecular Formula

C₁₂H₂₀N₄O₂

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)CN

InChI

InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)10(6-13)15-14-9/h4-7,13H2,1-3H3,(H,14,15)

InChIKey

MMLCMFJWURJEBO-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.15863 Da
Monoisotopic Mass: -0.1
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	162.2
[M+Na]+	275.147848	168.7
[M-H]-	251.151354	160.8
[M+NH4]+	270.192453	177.3
[M+K]+	291.121788	165.8
[M+H-H2O]+	235.155890	154.9
[M+HCOO]-	297.156831	176.5
[M+CH3COO]-	311.172481	193.3
[M+Na-2H]-	273.133296	164.7
[M]+	252.15808142	159.5
[M]-	252.15917858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.