CID 161647

6-hydroxy-ump

Structural Information

Molecular Formula
C9H13N2O10P
SMILES
C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O
InChI
InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
InChIKey
UDOBICLZEKUKCV-YXZULKJRSA-N
Compound name
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

32
Patents

340.0308 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03808 166.9
[M+Na]+ 363.02002 173.8
[M-H]- 339.02352 163.9
[M+NH4]+ 358.06462 174.2
[M+K]+ 378.99396 173.2
[M+H-H2O]+ 323.02806 158.3
[M+HCOO]- 385.02900 183.3
[M+CH3COO]- 399.04465 196.1
[M+Na-2H]- 361.00547 166.1
[M]+ 340.03025 167.3
[M]- 340.03135 167.3
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