CID 12395471

65735-68-4

Structural Information

Molecular Formula

C₈H₁₂N₄O

SMILES

C1COCCN1C2=NC=C(C=N2)N

InChI

InChI=1S/C8H12N4O/c9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-6H,1-4,9H2

InChIKey

LBLBLSPGRFRXOF-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 180.1011 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]+	181.10838	139.7
[M+Na]+	203.09032	146.1
[M-H]-	179.09382	141.9
[M+NH4]+	198.13492	153.3
[M+K]+	219.06426	144.5
[M+H-H2O]+	163.09836	130.2
[M+HCOO]-	225.09930	157.4
[M+CH3COO]-	239.11495	151.0
[M+Na-2H]-	201.07577	147.2
[M]+	180.10055	134.6
[M]-	180.10165	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe