CID 459824

2-amino-4-morpholin-4-yl-pyrimidine

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1COCCN1C2=NC(=NC=C2)N
InChI
InChI=1S/C8H12N4O/c9-8-10-2-1-7(11-8)12-3-5-13-6-4-12/h1-2H,3-6H2,(H2,9,10,11)
InChIKey
UMUSFEOPXQLLAG-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

180.1011 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.108376 139.7
[M+Na]+ 203.090318 146.1
[M-H]- 179.093824 141.9
[M+NH4]+ 198.134923 153.3
[M+K]+ 219.064258 144.5
[M+H-H2O]+ 163.098360 130.2
[M+HCOO]- 225.099301 157.4
[M+CH3COO]- 239.114951 151.0
[M+Na-2H]- 201.075766 147.2
[M]+ 180.10055142 134.6
[M]- 180.10164858 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