CID 5273346

D-glucitol, 2,5-anhydro-1-deoxy-1-(hydroxyoctylphosphinyl)-, ion(1-)

Structural Information

Molecular Formula
C14H29O6P
SMILES
CCCCCCCCP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C14H29O6P/c1-2-3-4-5-6-7-8-21(18,19)10-12-14(17)13(16)11(9-15)20-12/h11-17H,2-10H2,1H3,(H,18,19)/t11-,12+,13-,14-/m1/s1
InChIKey
QCFNBCPMMYYPFT-XJFOESAGSA-N
Compound name
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-octylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.17017 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17745 182.1
[M+Na]+ 347.15939 185.4
[M-H]- 323.16289 178.6
[M+NH4]+ 342.20399 194.7
[M+K]+ 363.13333 183.3
[M+H-H2O]+ 307.16743 174.8
[M+HCOO]- 369.16837 200.4
[M+CH3COO]- 383.18402 200.2
[M+Na-2H]- 345.14484 178.7
[M]+ 324.16962 184.4
[M]- 324.17072 184.4
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.