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

literature stripe

Patent stripe

patents stripe