CID 189921

136451-98-4

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](O2)CO)CO
InChI
InChI=1S/C10H14N2O5/c1-5-2-12(10(16)11-8(5)15)9-6(3-13)7(4-14)17-9/h2,6-7,9,13-14H,3-4H2,1H3,(H,11,15,16)/t6-,7-,9-/m1/s1
InChIKey
NRDGYJVGNAAHDO-ZXFLCMHBSA-N
Compound name
1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

242.09027 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 150.3
[M+Na]+ 265.07949 158.3
[M-H]- 241.08299 151.7
[M+NH4]+ 260.12409 155.9
[M+K]+ 281.05343 159.1
[M+H-H2O]+ 225.08753 137.5
[M+HCOO]- 287.08847 165.7
[M+CH3COO]- 301.10412 189.2
[M+Na-2H]- 263.06494 152.9
[M]+ 242.08972 159.8
[M]- 242.09082 159.8
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.