CID 122198966

2-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]morpholine

Structural Information

Molecular Formula
C12H18N4O
SMILES
C1CCN(C1)C2=NC=CC(=N2)C3CNCCO3
InChI
InChI=1S/C12H18N4O/c1-2-7-16(6-1)12-14-4-3-10(15-12)11-9-13-5-8-17-11/h3-4,11,13H,1-2,5-9H2
InChIKey
PYZGXBIDCLDUBO-UHFFFAOYSA-N
Compound name
2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 155.0
[M+Na]+ 257.13728 159.1
[M-H]- 233.14078 157.1
[M+NH4]+ 252.18188 165.9
[M+K]+ 273.11122 156.0
[M+H-H2O]+ 217.14532 143.9
[M+HCOO]- 279.14626 167.2
[M+CH3COO]- 293.16191 163.9
[M+Na-2H]- 255.12273 157.4
[M]+ 234.14751 146.9
[M]- 234.14861 146.9
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

No patent data available for this compound.