CID 440938

Salicin 6-phosphate

Structural Information

Molecular Formula
C13H19O10P
SMILES
C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O
InChI
InChI=1S/C13H19O10P/c14-5-7-3-1-2-4-8(7)22-13-12(17)11(16)10(15)9(23-13)6-21-24(18,19)20/h1-4,9-17H,5-6H2,(H2,18,19,20)/t9-,10-,11+,12-,13-/m1/s1
InChIKey
FSJKOMDYZYBBLV-UJPOAAIJSA-N
Compound name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

366.0716 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07888 178.2
[M+Na]+ 389.06082 184.2
[M+NH4]+ 384.10542 179.5
[M+K]+ 405.03476 185.4
[M-H]- 365.06432 175.8
[M+Na-2H]- 387.04627 176.6
[M]+ 366.07105 177.5
[M]- 366.07215 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe