CID 72250

108895-42-7

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC
InChI
InChI=1S/C11H16N2O5/c1-6-4-13(11(16)12-10(6)15)9-3-7(17-2)8(5-14)18-9/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9+/m0/s1
InChIKey
ZGBKEOLAPVBJFC-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

413
Patents

256.10593 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.113206 153.9
[M+Na]+ 279.095148 163.5
[M-H]- 255.098654 156.9
[M+NH4]+ 274.139753 167.8
[M+K]+ 295.069088 161.4
[M+H-H2O]+ 239.103190 146.9
[M+HCOO]- 301.104131 171.9
[M+CH3COO]- 315.119781 189.4
[M+Na-2H]- 277.080596 155.4
[M]+ 256.10538142 155.6
[M]- 256.10647858 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe