CID 131751223

3-methyl-3-butenyl apiosyl-(1->6)-glucoside

Structural Information

Molecular Formula
C16H28O10
SMILES
CC(=C)CCOC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O
InChI
InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h9-15,17-22H,1,3-7H2,2H3
InChIKey
DZEALCQVCAOHSL-UHFFFAOYSA-N
Compound name
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16824 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17552 183.9
[M+Na]+ 403.15746 186.7
[M-H]- 379.16096 183.2
[M+NH4]+ 398.20206 192.7
[M+K]+ 419.13140 187.1
[M+H-H2O]+ 363.16550 179.7
[M+HCOO]- 425.16644 190.9
[M+CH3COO]- 439.18209 207.1
[M+Na-2H]- 401.14291 181.2
[M]+ 380.16769 184.1
[M]- 380.16879 184.1
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.