CID 79089565

(2-{hexahydro-1h-pyrrolo[2,1-c]morpholin-3-yl}pyrimidin-4-yl)methanol

Structural Information

Molecular Formula
C12H17N3O2
SMILES
C1CC2COC(CN2C1)C3=NC=CC(=N3)CO
InChI
InChI=1S/C12H17N3O2/c16-7-9-3-4-13-12(14-9)11-6-15-5-1-2-10(15)8-17-11/h3-4,10-11,16H,1-2,5-8H2
InChIKey
PUUXOLAOROVGIM-UHFFFAOYSA-N
Compound name
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 153.5
[M+Na]+ 258.12130 159.6
[M-H]- 234.12480 155.4
[M+NH4]+ 253.16590 167.5
[M+K]+ 274.09524 157.0
[M+H-H2O]+ 218.12934 144.3
[M+HCOO]- 280.13028 167.2
[M+CH3COO]- 294.14593 163.7
[M+Na-2H]- 256.10675 157.2
[M]+ 235.13153 149.5
[M]- 235.13263 149.5
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.