CID 90657367

Phosphoinositol-alpha-mannoside

Structural Information

Molecular Formula
C12H23O14P
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)OP(=O)(O)O)O)O)O)O)O)O
InChI
InChI=1S/C12H23O14P/c13-1-2-3(14)4(15)9(20)12(24-2)25-10-5(16)7(18)11(8(19)6(10)17)26-27(21,22)23/h2-20H,1H2,(H2,21,22,23)/t2-,3-,4+,5-,6+,7-,8-,9+,10?,11?,12-/m1/s1
InChIKey
RKBZSOHCWNFBLV-KKMCCESSSA-N
Compound name
[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

422.08255 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08983 186.4
[M+Na]+ 445.07177 188.1
[M-H]- 421.07527 180.3
[M+NH4]+ 440.11637 185.8
[M+K]+ 461.04571 185.6
[M+H-H2O]+ 405.07981 177.8
[M+HCOO]- 467.08075 188.9
[M+CH3COO]- 481.09640 212.6
[M+Na-2H]- 443.05722 205.2
[M]+ 422.08200 178.3
[M]- 422.08310 178.3
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.