CID 3245583

80466-86-0

Structural Information

Molecular Formula

C₉H₁₅N₃O₃S

SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C9H15N3O3S/c1-7-9(8(2)11-10-7)16(13,14)12-3-5-15-6-4-12/h3-6H2,1-2H3,(H,10,11)

InChIKey

IBUIILNAJLHSRC-UHFFFAOYSA-N

Compound name

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 245.08342 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]+	246.09070	154.0
[M+Na]+	268.07264	163.7
[M+NH4]+	263.11724	159.7
[M+K]+	284.04658	160.4
[M-H]-	244.07614	154.6
[M+Na-2H]-	266.05809	156.8
[M]+	245.08287	155.7
[M]-	245.08397	155.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.