CID 122357

D-erythrose 4-phosphate

Structural Information

Molecular Formula
C4H9O7P
SMILES
C([C@H]([C@H](C=O)O)O)OP(=O)(O)O
InChI
InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1
InChIKey
NGHMDNPXVRFFGS-IUYQGCFVSA-N
Compound name
[(2R,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

82
References

4848
Patents

200.00859 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01587 139.8
[M+Na]+ 222.99781 145.5
[M-H]- 199.00131 133.5
[M+NH4]+ 218.04241 156.2
[M+K]+ 238.97175 145.8
[M+H-H2O]+ 183.00585 133.5
[M+HCOO]- 245.00679 161.6
[M+CH3COO]- 259.02244 172.8
[M+Na-2H]- 220.98326 141.1
[M]+ 200.00804 141.1
[M]- 200.00914 141.1
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