CID 452420

3'-formyl-lyxo-t-hemiacetal

Structural Information

Molecular Formula
C11H14N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]3[C@H](O2)COC3O)O
InChI
InChI=1S/C11H14N2O6/c1-4-2-13(11(17)12-8(4)15)9-7(14)6-5(19-9)3-18-10(6)16/h2,5-7,9-10,14,16H,3H2,1H3,(H,12,15,17)/t5-,6+,7+,9-,10?/m1/s1
InChIKey
SSLGGIOCSXMDFN-DCDLFBDMSA-N
Compound name
1-[(2R,3S,3aR,6aS)-3,4-dihydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.08517 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09245 155.9
[M+Na]+ 293.07439 165.9
[M-H]- 269.07789 159.7
[M+NH4]+ 288.11899 170.0
[M+K]+ 309.04833 164.3
[M+H-H2O]+ 253.08243 150.9
[M+HCOO]- 315.08337 170.6
[M+CH3COO]- 329.09902 189.8
[M+Na-2H]- 291.05984 156.4
[M]+ 270.08462 156.7
[M]- 270.08572 156.7
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.