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 197.5
[M+Na]+ 409.25607 198.2
[M-H]- 385.25957 197.4
[M+NH4]+ 404.30067 205.2
[M+K]+ 425.23001 195.2
[M+H-H2O]+ 369.26411 189.8
[M+HCOO]- 431.26505 206.3
[M+CH3COO]- 445.28070 214.3
[M+Na-2H]- 407.24152 193.1
[M]+ 386.26630 196.0
[M]- 386.26740 196.0
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.