CID 669

2-hydroxy-3-oxobutyl phosphate

Structural Information

Molecular Formula
C4H9O6P
SMILES
CC(=O)C(COP(=O)(O)O)O
InChI
InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)
InChIKey
OKYHYXLCTGGOLM-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-oxobutyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

384
Patents

184.01367 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.020946 136.9
[M+Na]+ 207.002888 143.3
[M-H]- 183.006394 132.1
[M+NH4]+ 202.047493 154.8
[M+K]+ 222.976828 143.7
[M+H-H2O]+ 167.010930 130.7
[M+HCOO]- 229.011871 160.1
[M+CH3COO]- 243.027521 172.9
[M+Na-2H]- 204.988336 138.5
[M]+ 184.01312142 138.7
[M]- 184.01421858 138.7
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