CID 14844436

D-ribulose 1-phosphate

Structural Information

Molecular Formula
C5H11O8P
SMILES
C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)O
InChI
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3,5-7,9H,1-2H2,(H2,10,11,12)/t3-,5-/m1/s1
InChIKey
NBOCCPQHBPGYCX-NQXXGFSBSA-N
Compound name
[(3R,4R)-3,4,5-trihydroxy-2-oxopentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

175
References

1849
Patents

230.01915 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02643 146.9
[M+Na]+ 253.00837 151.3
[M-H]- 229.01187 139.0
[M+NH4]+ 248.05297 161.1
[M+K]+ 268.98231 151.7
[M+H-H2O]+ 213.01641 140.3
[M+HCOO]- 275.01735 166.0
[M+CH3COO]- 289.03300 177.0
[M+Na-2H]- 250.99382 146.2
[M]+ 230.01860 147.4
[M]- 230.01970 147.4
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