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]+ 223.10773 152.7
[M+Na]+ 245.08967 165.4
[M-H]- 221.09317 156.1
[M+NH4]+ 240.13427 163.3
[M+K]+ 261.06361 158.6
[M+H-H2O]+ 205.09771 145.7
[M+HCOO]- 267.09865 172.4
[M+CH3COO]- 281.11430 189.1
[M+Na-2H]- 243.07512 155.1
[M]+ 222.09990 155.8
[M]- 222.10100 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.