CID 46937032

(1z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate

Structural Information

Molecular Formula
C6H11O6P
SMILES
CCCC(=O)/C(=C/OP(=O)(O)O)/O
InChI
InChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4-
InChIKey
HEBDCWKDNSCZMW-XQRVVYSFSA-N
Compound name
[(Z)-2-hydroxy-3-oxohex-1-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.02933 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03661 144.9
[M+Na]+ 233.01855 150.8
[M-H]- 209.02205 139.8
[M+NH4]+ 228.06315 161.8
[M+K]+ 248.99249 150.2
[M+H-H2O]+ 193.02659 138.5
[M+HCOO]- 255.02753 167.6
[M+CH3COO]- 269.04318 177.3
[M+Na-2H]- 231.00400 145.5
[M]+ 210.02878 146.7
[M]- 210.02988 146.7
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

No patent data available for this compound.