CID 25034024

6-tuliposide b

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

294.0951 Da
Monoisotopic Mass

-3.5
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