CID 439905

5-phospho-beta-d-ribosylamine

Structural Information

Molecular Formula
C5H12NO7P
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
InChIKey
SKCBPEVYGOQGJN-TXICZTDVSA-N
Compound name
[(2R,3S,4R,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

160
Patents

229.03514 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04242 145.3
[M+Na]+ 252.02436 149.2
[M+NH4]+ 247.06896 148.2
[M+K]+ 267.99830 152.6
[M-H]- 228.02786 141.8
[M+Na-2H]- 250.00981 142.5
[M]+ 229.03459 143.9
[M]- 229.03569 143.9
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