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 154.3
[M+Na]+ 258.12130 165.9
[M+NH4]+ 253.16590 161.9
[M+K]+ 274.09524 162.0
[M-H]- 234.12480 157.3
[M+Na-2H]- 256.10675 158.4
[M]+ 235.13153 156.5
[M]- 235.13263 156.5
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.

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No patent data available for this compound.