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]+ 243.097546 150.3
[M+Na]+ 265.079488 158.3
[M-H]- 241.082994 151.7
[M+NH4]+ 260.124093 155.9
[M+K]+ 281.053428 159.1
[M+H-H2O]+ 225.087530 137.5
[M+HCOO]- 287.088471 165.7
[M+CH3COO]- 301.104121 189.2
[M+Na-2H]- 263.064936 152.9
[M]+ 242.08972142 159.8
[M]- 242.09081858 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

literature stripe

Patent stripe

patents stripe