CID 11820149

D-erythritol 4-phosphate(2-)

Structural Information

Molecular Formula
C4H11O7P
SMILES
C([C@H]([C@H](COP(=O)(O)O)O)O)O
InChI
InChI=1S/C4H11O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+/m1/s1
InChIKey
QRDCEYBRRFPBMZ-DMTCNVIQSA-N
Compound name
[(2S,3R)-2,3,4-trihydroxybutyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

257
Patents

202.02425 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03153 142.6
[M+Na]+ 225.01347 147.6
[M-H]- 201.01697 134.9
[M+NH4]+ 220.05807 158.2
[M+K]+ 240.98741 147.5
[M+H-H2O]+ 185.02151 136.3
[M+HCOO]- 247.02245 162.6
[M+CH3COO]- 261.03810 171.5
[M+Na-2H]- 222.99892 143.2
[M]+ 202.02370 142.6
[M]- 202.02480 142.6
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