CID 63310505

1344371-97-6

Structural Information

Molecular Formula

C₁₀H₁₈N₄O

SMILES

C1COCCN1CCCN2C=CC(=N2)N

InChI

InChI=1S/C10H18N4O/c11-10-2-5-14(12-10)4-1-3-13-6-8-15-9-7-13/h2,5H,1,3-4,6-9H2,(H2,11,12)

InChIKey

VFKFPZJOKUVRGP-UHFFFAOYSA-N

Compound name

1-(3-morpholin-4-ylpropyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.14806 Da
Monoisotopic Mass: -0.2
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]+	211.15534	148.6
[M+Na]+	233.13728	153.8
[M-H]-	209.14078	150.4
[M+NH4]+	228.18188	162.8
[M+K]+	249.11122	152.3
[M+H-H2O]+	193.14532	139.0
[M+HCOO]-	255.14626	166.4
[M+CH3COO]-	269.16191	186.5
[M+Na-2H]-	231.12273	152.3
[M]+	210.14751	144.9
[M]-	210.14861	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe