CID 5279520

1-[[(1r,2r)-2-(hydroxymethyl)-3-methylene-cyclopropyl]methyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC1=CN(C(=O)NC1=O)C[C@@H]2[C@H](C2=C)CO
InChI
InChI=1S/C11H14N2O3/c1-6-3-13(11(16)12-10(6)15)4-8-7(2)9(8)5-14/h3,8-9,14H,2,4-5H2,1H3,(H,12,15,16)/t8-,9-/m0/s1
InChIKey
SUBLKMTYYHCXDV-IUCAKERBSA-N
Compound name
1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.10045 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 152.7
[M+Na]+ 245.089668 165.4
[M-H]- 221.093174 156.1
[M+NH4]+ 240.134273 163.3
[M+K]+ 261.063608 158.6
[M+H-H2O]+ 205.097710 145.7
[M+HCOO]- 267.098651 172.4
[M+CH3COO]- 281.114301 189.1
[M+Na-2H]- 243.075116 155.1
[M]+ 222.09990142 155.8
[M]- 222.10099858 155.8
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.