CID 43608643

1-methyl-n-(oxan-4-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₉H₁₅N₃O

SMILES

CN1C=C(C=N1)NC2CCOCC2

InChI

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

InChIKey

QSCAGDQZSRZPOH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 181.1215 Da
Monoisotopic Mass: 0.6
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]+	182.128776	139.3
[M+Na]+	204.110718	145.0
[M-H]-	180.114224	143.3
[M+NH4]+	199.155323	156.4
[M+K]+	220.084658	144.3
[M+H-H2O]+	164.118760	130.9
[M+HCOO]-	226.119701	159.5
[M+CH3COO]-	240.135351	181.2
[M+Na-2H]-	202.096166	144.8
[M]+	181.12095142	135.8
[M]-	181.12204858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe