CID 3039956

4-(2-(1h-1,2,4-triazol-1-yl)ethyl)morpholine

Structural Information

Molecular Formula

C₈H₁₄N₄O

SMILES

C1COCCN1CCN2C=NC=N2

InChI

InChI=1S/C8H14N4O/c1(2-12-8-9-7-10-12)11-3-5-13-6-4-11/h7-8H,1-6H2

InChIKey

QSRIMEJLSVTOCT-UHFFFAOYSA-N

Compound name

4-[2-(1,2,4-triazol-1-yl)ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.11676 Da
Monoisotopic Mass: -0.4
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]+	183.124036	139.9
[M+Na]+	205.105978	146.0
[M-H]-	181.109484	140.7
[M+NH4]+	200.150583	154.1
[M+K]+	221.079918	145.4
[M+H-H2O]+	165.114020	129.8
[M+HCOO]-	227.114961	156.5
[M+CH3COO]-	241.130611	151.1
[M+Na-2H]-	203.091426	145.5
[M]+	182.11621142	137.3
[M]-	182.11730858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe