CID 3011251

1-[(2r,6as)-6a-(hydroxymethyl)-3,3a,4,6-tetrahydro-2h-furo[2,3-c]furan-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC3COC[C@@]3(O2)CO
InChI
InChI=1S/C12H16N2O5/c1-7-3-14(11(17)13-10(7)16)9-2-8-4-18-6-12(8,5-15)19-9/h3,8-9,15H,2,4-6H2,1H3,(H,13,16,17)/t8?,9-,12+/m1/s1
InChIKey
KACNDXZWIOBPDX-IBMSWFNTSA-N
Compound name
1-[(2R,6aS)-6a-(hydroxymethyl)-3,3a,4,6-tetrahydro-2H-furo[3,4-b]furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.10593 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 155.3
[M+Na]+ 291.09515 164.9
[M-H]- 267.09865 159.8
[M+NH4]+ 286.13975 171.8
[M+K]+ 307.06909 163.4
[M+H-H2O]+ 251.10319 150.0
[M+HCOO]- 313.10413 171.1
[M+CH3COO]- 327.11978 189.3
[M+Na-2H]- 289.08060 158.2
[M]+ 268.10538 156.3
[M]- 268.10648 156.3
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.