CID 453470

Seco-t

Structural Information

Molecular Formula
C10H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)C(C)OC(CO)CO
InChI
InChI=1S/C10H16N2O5/c1-6-3-12(10(16)11-9(6)15)7(2)17-8(4-13)5-14/h3,7-8,13-14H,4-5H2,1-2H3,(H,11,15,16)
InChIKey
TVOJSACZEKOPIN-UHFFFAOYSA-N
Compound name
1-[1-(1,3-dihydroxypropan-2-yloxy)ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.10593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 151.5
[M+Na]+ 267.09515 159.5
[M-H]- 243.09865 149.0
[M+NH4]+ 262.13975 164.4
[M+K]+ 283.06909 157.0
[M+H-H2O]+ 227.10319 144.6
[M+HCOO]- 289.10413 167.9
[M+CH3COO]- 303.11978 186.7
[M+Na-2H]- 265.08060 153.2
[M]+ 244.10538 152.9
[M]- 244.10648 152.9
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

patents stripe