CID 439287

17210-42-3

Structural Information

Molecular Formula
C5H11O7P
SMILES
C1[C@@H]([C@H](OC1OP(=O)(O)O)CO)O
InChI
InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1
InChIKey
KBDKAJNTYKVSEK-PYHARJCCSA-N
Compound name
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

485
Patents

214.02425 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03153 141.9
[M+Na]+ 237.01347 148.1
[M-H]- 213.01697 139.6
[M+NH4]+ 232.05807 158.6
[M+K]+ 252.98741 148.5
[M+H-H2O]+ 197.02151 135.7
[M+HCOO]- 259.02245 163.5
[M+CH3COO]- 273.03810 174.1
[M+Na-2H]- 234.99892 144.0
[M]+ 214.02370 142.1
[M]- 214.02480 142.1
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