CID 67364551

2-(pyrimidin-4-yl)morpholine

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

C1COC(CN1)C2=NC=NC=C2

InChI

InChI=1S/C8H11N3O/c1-2-10-6-11-7(1)8-5-9-3-4-12-8/h1-2,6,8-9H,3-5H2

InChIKey

SUFZSYPRKXTQKW-UHFFFAOYSA-N

Compound name

2-pyrimidin-4-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 210
Patents: 165.09021 Da
Monoisotopic Mass: -0.7
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]+	166.097486	135.3
[M+Na]+	188.079428	141.1
[M-H]-	164.082934	136.2
[M+NH4]+	183.124033	149.0
[M+K]+	204.053368	139.2
[M+H-H2O]+	148.087470	126.1
[M+HCOO]-	210.088411	151.0
[M+CH3COO]-	224.104061	146.4
[M+Na-2H]-	186.064876	143.7
[M]+	165.08966142	129.6
[M]-	165.09075858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe