CID 126792155

3-(3,5-dimethyl-1h-pyrazol-4-yl)-4-methylmorpholine

Structural Information

Molecular Formula

C₁₀H₁₇N₃O

SMILES

CC1=C(C(=NN1)C)C2COCCN2C

InChI

InChI=1S/C10H17N3O/c1-7-10(8(2)12-11-7)9-6-14-5-4-13(9)3/h9H,4-6H2,1-3H3,(H,11,12)

InChIKey

JQMKCZGWDNSAIA-UHFFFAOYSA-N

Compound name

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.13716 Da
Monoisotopic Mass: 0.5
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]+	196.144436	146.2
[M+Na]+	218.126378	153.9
[M-H]-	194.129884	148.1
[M+NH4]+	213.170983	161.7
[M+K]+	234.100318	151.9
[M+H-H2O]+	178.134420	138.0
[M+HCOO]-	240.135361	162.1
[M+CH3COO]-	254.151011	182.0
[M+Na-2H]-	216.111826	148.4
[M]+	195.13661142	143.2
[M]-	195.13770858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.