CID 11608603

Seco-oh-t

Structural Information

Molecular Formula
C10H16N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@@H](CO)OC(CO)CO
InChI
InChI=1S/C10H16N2O6/c1-6-2-12(10(17)11-9(6)16)8(5-15)18-7(3-13)4-14/h2,7-8,13-15H,3-5H2,1H3,(H,11,16,17)/t8-/m1/s1
InChIKey
YEDHQJNTDHHDTR-MRVPVSSYSA-N
Compound name
1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxyethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.10083 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10811 154.5
[M+Na]+ 283.09005 161.8
[M-H]- 259.09355 150.6
[M+NH4]+ 278.13465 165.9
[M+K]+ 299.06399 159.2
[M+H-H2O]+ 243.09809 147.5
[M+HCOO]- 305.09903 169.6
[M+CH3COO]- 319.11468 186.8
[M+Na-2H]- 281.07550 155.8
[M]+ 260.10028 155.4
[M]- 260.10138 155.4
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