CID 74029762

1-(3-methyl-2-butenoyl)-6-apiosylglucose

Structural Information

Molecular Formula
C16H26O11
SMILES
CC(=CC(=O)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)C
InChI
InChI=1S/C16H26O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h3,8,10-15,17,19-23H,4-6H2,1-2H3
InChIKey
MVLVZZLLWUAMRM-UHFFFAOYSA-N
Compound name
[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

394.14752 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15480 184.9
[M+Na]+ 417.13674 187.6
[M-H]- 393.14024 184.4
[M+NH4]+ 412.18134 193.0
[M+K]+ 433.11068 188.9
[M+H-H2O]+ 377.14478 181.0
[M+HCOO]- 439.14572 191.3
[M+CH3COO]- 453.16137 209.0
[M+Na-2H]- 415.12219 181.5
[M]+ 394.14697 185.2
[M]- 394.14807 185.2
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

No patent data available for this compound.