CID 451894

114551-18-7

Structural Information

Molecular Formula
C10H12N2O5
SMILES
COC1=NC(=O)N(C=C1)[C@H]2C3C(O3)[C@H](O2)CO
InChI
InChI=1S/C10H12N2O5/c1-15-6-2-3-12(10(14)11-6)9-8-7(17-8)5(4-13)16-9/h2-3,5,7-9,13H,4H2,1H3/t5-,7?,8?,9-/m1/s1
InChIKey
IOJUZDPNBIAHGR-WFXDJJTDSA-N
Compound name
1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-4-methoxypyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.07462 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08190 155.0
[M+Na]+ 263.06384 167.5
[M-H]- 239.06734 161.5
[M+NH4]+ 258.10844 165.2
[M+K]+ 279.03778 165.5
[M+H-H2O]+ 223.07188 148.0
[M+HCOO]- 285.07282 173.1
[M+CH3COO]- 299.08847 191.4
[M+Na-2H]- 261.04929 159.9
[M]+ 240.07407 162.8
[M]- 240.07517 162.8
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

No patent data available for this compound.