CID 441643

Tuliposide b

Structural Information

Molecular Formula
C11H18O9
SMILES
C=C(C(CO)O)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5?,6-,7-,8+,9-,11+/m1/s1
InChIKey
KVRQQFBSAHPTAB-FUYPYFFWSA-N
Compound name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

294.0951 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10238 163.1
[M+Na]+ 317.08432 167.1
[M+NH4]+ 312.12892 164.3
[M+K]+ 333.05826 169.4
[M-H]- 293.08782 158.3
[M+Na-2H]- 315.06977 158.3
[M]+ 294.09455 161.3
[M]- 294.09565 161.3
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

patents stripe