CID 73557002

Agarose, 2-hydroxy-3-(2-propenyloxy)propyl ether

Structural Information

Molecular Formula
C18H30O12
SMILES
C=CCOCC(COCC1C(C(C(C(O1)OC2C3COC2C(C(O3)O)O)O)O)O)O
InChI
InChI=1S/C18H30O12/c1-2-3-25-4-8(19)5-26-6-9-11(20)12(21)13(22)18(29-9)30-15-10-7-27-16(15)14(23)17(24)28-10/h2,8-24H,1,3-7H2
InChIKey
MGEVYEHKHVEOKL-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl)oxy]-6-[(2-hydroxy-3-prop-2-enoxypropoxy)methyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

438.17374 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.18102 195.4
[M+Na]+ 461.16296 196.1
[M-H]- 437.16646 194.1
[M+NH4]+ 456.20756 199.7
[M+K]+ 477.13690 198.3
[M+H-H2O]+ 421.17100 190.3
[M+HCOO]- 483.17194 197.4
[M+CH3COO]- 497.18759 221.1
[M+Na-2H]- 459.14841 193.2
[M]+ 438.17319 198.0
[M]- 438.17429 198.0
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.