CID 62385497

1-[(oxan-4-yl)methyl]-1h-pyrazol-3-amine

Structural Information

Molecular Formula

C₉H₁₅N₃O

SMILES

C1COCCC1CN2C=CC(=N2)N

InChI

InChI=1S/C9H15N3O/c10-9-1-4-12(11-9)7-8-2-5-13-6-3-8/h1,4,8H,2-3,5-7H2,(H2,10,11)

InChIKey

QEPILCRKOIFUEX-UHFFFAOYSA-N

Compound name

1-(oxan-4-ylmethyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 181.1215 Da
Monoisotopic Mass: 0.4
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]+	182.12878	140.3
[M+Na]+	204.11072	150.7
[M+NH4]+	199.15532	148.3
[M+K]+	220.08466	147.3
[M-H]-	180.11422	144.2
[M+Na-2H]-	202.09617	145.8
[M]+	181.12095	142.6
[M]-	181.12205	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe