CID 473653

Schembl2159268

Structural Information

Molecular Formula
C10H13N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC(=NO)[C@H](O2)CO
InChI
InChI=1S/C10H13N3O5/c1-5-3-13(10(16)11-9(5)15)8-2-6(12-17)7(4-14)18-8/h3,7-8,14,17H,2,4H2,1H3,(H,11,15,16)/t7-,8-/m1/s1
InChIKey
ARUMXTDYCBOTPE-HTQZYQBOSA-N
Compound name
1-[(2R,5S)-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

255.08553 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09281 153.2
[M+Na]+ 278.07475 162.6
[M-H]- 254.07825 156.4
[M+NH4]+ 273.11935 166.7
[M+K]+ 294.04869 160.0
[M+H-H2O]+ 238.08279 145.9
[M+HCOO]- 300.08373 172.7
[M+CH3COO]- 314.09938 190.4
[M+Na-2H]- 276.06020 155.6
[M]+ 255.08498 153.0
[M]- 255.08608 153.0
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