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
2
Annotation Hits

1
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 161.9
[M+Na]+ 317.08432 165.3
[M-H]- 293.08782 157.6
[M+NH4]+ 312.12892 171.5
[M+K]+ 333.05826 165.3
[M+H-H2O]+ 277.09236 156.5
[M+HCOO]- 339.09330 170.5
[M+CH3COO]- 353.10895 190.8
[M+Na-2H]- 315.06977 158.6
[M]+ 294.09455 159.2
[M]- 294.09565 159.2
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