CID 5273348

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

Structural Information

Molecular Formula
C16H33O6P
SMILES
CCCCCCCCCCP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C16H33O6P/c1-2-3-4-5-6-7-8-9-10-23(20,21)12-14-16(19)15(18)13(11-17)22-14/h13-19H,2-12H2,1H3,(H,20,21)/t13-,14+,15-,16-/m1/s1
InChIKey
KPPDLKJMOCSZDV-QKPAOTATSA-N
Compound name
decyl-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.20148 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20876 191.2
[M+Na]+ 375.19070 193.7
[M-H]- 351.19420 187.4
[M+NH4]+ 370.23530 202.7
[M+K]+ 391.16464 191.2
[M+H-H2O]+ 335.19874 183.6
[M+HCOO]- 397.19968 208.9
[M+CH3COO]- 411.21533 206.2
[M+Na-2H]- 373.17615 186.9
[M]+ 352.20093 194.3
[M]- 352.20203 194.3
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.