CID 131751899

Mangalkanyl glucoside

Structural Information

Molecular Formula
C21H38O6
SMILES
CCCCCCCCCC1CCC=CC1OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C21H38O6/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)26-21-20(25)19(24)18(23)17(14-22)27-21/h10,13,15-25H,2-9,11-12,14H2,1H3
InChIKey
UMZTUZCMBMNJSZ-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(6-nonylcyclohex-2-en-1-yl)oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.26685 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.27413 197.0
[M+Na]+ 409.25607 203.9
[M+NH4]+ 404.30067 201.1
[M+K]+ 425.23001 199.3
[M-H]- 385.25957 198.3
[M+Na-2H]- 407.24152 195.7
[M]+ 386.26630 197.8
[M]- 386.26740 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.