CID 453632

3',4'-meoxyt

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC3[C@@](O2)(CO3)CO
InChI
InChI=1S/C11H14N2O5/c1-6-3-13(10(16)12-9(6)15)8-2-7-11(4-14,18-8)5-17-7/h3,7-8,14H,2,4-5H2,1H3,(H,12,15,16)/t7?,8-,11+/m1/s1
InChIKey
OGSYMWBMBJSVLW-VOXUXLNDSA-N
Compound name
1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.09027 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 147.5
[M+Na]+ 277.07949 155.9
[M-H]- 253.08299 151.8
[M+NH4]+ 272.12409 156.5
[M+K]+ 293.05343 157.9
[M+H-H2O]+ 237.08753 136.9
[M+HCOO]- 299.08847 162.5
[M+CH3COO]- 313.10412 191.0
[M+Na-2H]- 275.06494 152.7
[M]+ 254.08972 158.2
[M]- 254.09082 158.2
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.