CID 5273350

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

Structural Information

Molecular Formula
C18H37O6P
SMILES
CCCCCCCCCCCCP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C18H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-25(22,23)14-16-18(21)17(20)15(13-19)24-16/h15-21H,2-14H2,1H3,(H,22,23)/t15-,16+,17-,18-/m1/s1
InChIKey
OUDHBELBGDGPAL-XMTFNYHQSA-N
Compound name
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-dodecylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.2328 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.24008 200.3
[M+Na]+ 403.22202 201.9
[M-H]- 379.22552 196.1
[M+NH4]+ 398.26662 210.7
[M+K]+ 419.19596 199.0
[M+H-H2O]+ 363.23006 192.3
[M+HCOO]- 425.23100 217.3
[M+CH3COO]- 439.24665 212.1
[M+Na-2H]- 401.20747 195.0
[M]+ 380.23225 204.1
[M]- 380.23335 204.1
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.