CID 452676

132398-83-5

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)C2[C@H]([C@@H]2CO)CO
InChI
InChI=1S/C10H14N2O4/c1-5-2-12(10(16)11-9(5)15)8-6(3-13)7(8)4-14/h2,6-8,13-14H,3-4H2,1H3,(H,11,15,16)/t6-,7-/m0/s1
InChIKey
XESNPUIEMJHYRT-BQBZGAKWSA-N
Compound name
1-[(2S,3S)-2,3-bis(hydroxymethyl)cyclopropyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.09535 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 152.2
[M+Na]+ 249.08457 164.5
[M-H]- 225.08807 154.4
[M+NH4]+ 244.12917 161.9
[M+K]+ 265.05851 158.0
[M+H-H2O]+ 209.09261 145.4
[M+HCOO]- 271.09355 170.7
[M+CH3COO]- 285.10920 187.0
[M+Na-2H]- 247.07002 154.7
[M]+ 226.09480 155.4
[M]- 226.09590 155.4
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

patents stripe