CID 52940551

Pd004406

Structural Information

Molecular Formula
C7H14O4P
SMILES
CC[C@@H]([C@@H](C)C(=O)C[P+](=O)O)O
InChI
InChI=1S/C7H13O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8H,3-4H2,1-2H3/p+1/t5-,6+/m1/s1
InChIKey
BIWUFNQSPLUIJM-RITPCOANSA-O
Compound name
hydroxy-[(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.06297 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07025 144.6
[M+Na]+ 216.05219 149.9
[M-H]- 192.05569 141.3
[M+NH4]+ 211.09679 162.8
[M+K]+ 232.02613 144.4
[M+H-H2O]+ 176.06023 140.8
[M+HCOO]- 238.06117 167.4
[M+CH3COO]- 252.07682 173.9
[M+Na-2H]- 214.03764 144.2
[M]+ 193.06242 144.5
[M]- 193.06352 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.