CID 54423499

[4-(pyrimidin-2-yl)morpholin-2-yl]methanol

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

C1COC(CN1C2=NC=CC=N2)CO

InChI

InChI=1S/C9H13N3O2/c13-7-8-6-12(4-5-14-8)9-10-2-1-3-11-9/h1-3,8,13H,4-7H2

InChIKey

WCLNYIIZHPQYLS-UHFFFAOYSA-N

Compound name

(4-pyrimidin-2-ylmorpholin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 195.10077 Da
Monoisotopic Mass: -0.3
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]+	196.10805	143.2
[M+Na]+	218.08999	149.4
[M-H]-	194.09349	144.4
[M+NH4]+	213.13459	156.0
[M+K]+	234.06393	147.8
[M+H-H2O]+	178.09803	133.9
[M+HCOO]-	240.09897	158.8
[M+CH3COO]-	254.11462	154.1
[M+Na-2H]-	216.07544	150.3
[M]+	195.10022	139.7
[M]-	195.10132	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe