CID 79910418

Schembl16702828

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1COCCN1C2=NC=NC=C2N
InChI
InChI=1S/C8H12N4O/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4,9H2
InChIKey
KMNUOPNNQCNELW-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

180.1011 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe