CID 452419

3'-formyl-lyxo-u-hemiacetal

Structural Information

Molecular Formula
C10H12N2O6
SMILES
C1C2C([C@@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)C(O1)O
InChI
InChI=1S/C10H12N2O6/c13-5-1-2-12(10(16)11-5)8-7(14)6-4(18-8)3-17-9(6)15/h1-2,4,6-9,14-15H,3H2,(H,11,13,16)/t4?,6?,7-,8+,9?/m0/s1
InChIKey
JDLALIPYZHDYAP-YOEIWATPSA-N
Compound name
1-[(2R,3S)-3,4-dihydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.06955 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07683 150.7
[M+Na]+ 279.05877 160.3
[M-H]- 255.06227 154.3
[M+NH4]+ 274.10337 165.1
[M+K]+ 295.03271 158.9
[M+H-H2O]+ 239.06681 145.5
[M+HCOO]- 301.06775 165.8
[M+CH3COO]- 315.08340 185.4
[M+Na-2H]- 277.04422 152.4
[M]+ 256.06900 150.7
[M]- 256.07010 150.7
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.