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]+ 235.155336 155.0
[M+Na]+ 257.137278 159.1
[M-H]- 233.140784 157.1
[M+NH4]+ 252.181883 165.9
[M+K]+ 273.111218 156.0
[M+H-H2O]+ 217.145320 143.9
[M+HCOO]- 279.146261 167.2
[M+CH3COO]- 293.161911 163.9
[M+Na-2H]- 255.122726 157.4
[M]+ 234.14751142 146.9
[M]- 234.14860858 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.