CID 131752976

Methyl (r)-9-hydroxy-10-undecene-5,7-diynoate glucoside

Structural Information

Molecular Formula
C18H24O8
SMILES
COC(=O)CCCC#CC#CC(C=C)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C18H24O8/c1-3-12(9-7-5-4-6-8-10-14(20)24-2)25-18-17(23)16(22)15(21)13(11-19)26-18/h3,12-13,15-19,21-23H,1,6,8,10-11H2,2H3
InChIKey
XCRGUWJZEOHKGC-UHFFFAOYSA-N
Compound name
methyl 9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyundec-10-en-5,7-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14713 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15441 178.9
[M+Na]+ 391.13635 185.9
[M-H]- 367.13985 177.7
[M+NH4]+ 386.18095 184.6
[M+K]+ 407.11029 182.9
[M+H-H2O]+ 351.14439 165.2
[M+HCOO]- 413.14533 180.8
[M+CH3COO]- 427.16098 224.4
[M+Na-2H]- 389.12180 174.6
[M]+ 368.14658 171.3
[M]- 368.14768 171.3
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.