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]+ 194.070246 144.6
[M+Na]+ 216.052188 149.9
[M-H]- 192.055694 141.3
[M+NH4]+ 211.096793 162.8
[M+K]+ 232.026128 144.4
[M+H-H2O]+ 176.060230 140.8
[M+HCOO]- 238.061171 167.4
[M+CH3COO]- 252.076821 173.9
[M+Na-2H]- 214.037636 144.2
[M]+ 193.06242142 144.5
[M]- 193.06351858 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.