CID 82595201

2287299-71-0

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1COC(CN1)C2=CNN=C2

InChI

InChI=1S/C7H11N3O/c1-2-11-7(5-8-1)6-3-9-10-4-6/h3-4,7-8H,1-2,5H2,(H,9,10)

InChIKey

CGSRUYGJCQXWDO-UHFFFAOYSA-N

Compound name

2-(1H-pyrazol-4-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 153.09021 Da
Monoisotopic Mass: -0.8
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]+	154.09749	132.1
[M+Na]+	176.07943	137.8
[M-H]-	152.08293	131.8
[M+NH4]+	171.12403	147.5
[M+K]+	192.05337	135.7
[M+H-H2O]+	136.08747	123.8
[M+HCOO]-	198.08841	147.5
[M+CH3COO]-	212.10406	143.2
[M+Na-2H]-	174.06488	137.7
[M]+	153.08966	125.0
[M]-	153.09076	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe