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]+ 255.097546 147.5
[M+Na]+ 277.079488 155.9
[M-H]- 253.082994 151.8
[M+NH4]+ 272.124093 156.5
[M+K]+ 293.053428 157.9
[M+H-H2O]+ 237.087530 136.9
[M+HCOO]- 299.088471 162.5
[M+CH3COO]- 313.104121 191.0
[M+Na-2H]- 275.064936 152.7
[M]+ 254.08972142 158.2
[M]- 254.09081858 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

patents stripe