CID 5273352

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

Structural Information

Molecular Formula
C22H45O6P
SMILES
CCCCCCCCCCCCCCCCP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C22H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29(26,27)18-20-22(25)21(24)19(17-23)28-20/h19-25H,2-18H2,1H3,(H,26,27)/t19-,20+,21-,22-/m1/s1
InChIKey
HMKSATFJIALATQ-CIAFKFPVSA-N
Compound name
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-hexadecylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.29538 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.30266 218.2
[M+Na]+ 459.28460 218.1
[M-H]- 435.28810 213.2
[M+NH4]+ 454.32920 226.3
[M+K]+ 475.25854 214.3
[M+H-H2O]+ 419.29264 209.5
[M+HCOO]- 481.29358 233.8
[M+CH3COO]- 495.30923 223.9
[M+Na-2H]- 457.27005 211.0
[M]+ 436.29483 223.4
[M]- 436.29593 223.4
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.