CID 439168

D-glyceraldehyde 3-phosphate

Structural Information

Molecular Formula
C3H7O6P
SMILES
C([C@H](C=O)O)OP(=O)(O)O
InChI
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
InChIKey
LXJXRIRHZLFYRP-VKHMYHEASA-N
Compound name
[(2R)-2-hydroxy-3-oxopropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

361
References

16841
Patents

169.99803 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.00531 132.3
[M+Na]+ 192.98725 139.4
[M-H]- 168.99075 127.7
[M+NH4]+ 188.03185 150.9
[M+K]+ 208.96119 139.5
[M+H-H2O]+ 152.99529 126.2
[M+HCOO]- 214.99623 156.8
[M+CH3COO]- 229.01188 168.9
[M+Na-2H]- 190.97270 135.7
[M]+ 169.99748 134.4
[M]- 169.99858 134.4
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