CID 3034998

Sucrose, monoallyl ether

Structural Information

Molecular Formula
C15H26O11
SMILES
C=CCO[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O)O
InChI
InChI=1S/C15H26O11/c1-2-3-23-12-11(21)9(19)7(4-16)24-14(12)26-15(6-18)13(22)10(20)8(5-17)25-15/h2,7-14,16-22H,1,3-6H2/t7-,8-,9-,10-,11+,12-,13+,14-,15-/m1/s1
InChIKey
PUHSGHNPZPIVLH-WYJKLPQKSA-N
Compound name
(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14752 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.154796 181.4
[M+Na]+ 405.136738 184.8
[M-H]- 381.140244 179.7
[M+NH4]+ 400.181343 189.5
[M+K]+ 421.110678 184.9
[M+H-H2O]+ 365.144780 177.2
[M+HCOO]- 427.145721 188.2
[M+CH3COO]- 441.161371 205.5
[M+Na-2H]- 403.122186 179.7
[M]+ 382.14697142 182.0
[M]- 382.14806858 182.0
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.