CID 52946605

Pd004557

Structural Information

Molecular Formula
C11H22O5P
SMILES
C[C@H](C[C@H](C)[C@@H]([C@@H](C)C(=O)C[P+](=O)O)O)CO
InChI
InChI=1S/C11H21O5P/c1-7(5-12)4-8(2)11(14)9(3)10(13)6-17(15)16/h7-9,11-12,14H,4-6H2,1-3H3/p+1/t7-,8+,9+,11+/m1/s1
InChIKey
LLHWRJGJZLCRGO-HJGDQZAQSA-O
Compound name
[(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12048 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12776 166.3
[M+Na]+ 288.10970 168.9
[M-H]- 264.11320 160.9
[M+NH4]+ 283.15430 169.6
[M+K]+ 304.08364 163.3
[M+H-H2O]+ 248.11774 162.0
[M+HCOO]- 310.11868 171.7
[M+CH3COO]- 324.13433 187.2
[M+Na-2H]- 286.09515 161.1
[M]+ 265.11993 165.8
[M]- 265.12103 165.8
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.