CID 69281508

2089258-67-1

Structural Information

Molecular Formula

C₉H₁₅N₃O

SMILES

CC1=NN(C=C1N)C2CCOCC2

InChI

InChI=1S/C9H15N3O/c1-7-9(10)6-12(11-7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3

InChIKey

VPIPHCYJMTYWDB-UHFFFAOYSA-N

Compound name

3-methyl-1-(oxan-4-yl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 181.1215 Da
Monoisotopic Mass: 0.3
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	140.2
[M+Na]+	204.11072	151.0
[M+NH4]+	199.15532	148.1
[M+K]+	220.08466	147.7
[M-H]-	180.11422	144.2
[M+Na-2H]-	202.09617	145.4
[M]+	181.12095	142.6
[M]-	181.12205	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe