CID 447793

Undecyl-beta-d-maltopyranoside

Structural Information

Molecular Formula
C23H44O11
SMILES
CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
InChIKey
UYEMNFYVTFDKRG-ZNGNCRBCSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.28836 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.29564 219.7
[M+Na]+ 519.27758 218.5
[M-H]- 495.28108 216.3
[M+NH4]+ 514.32218 219.5
[M+K]+ 535.25152 218.2
[M+H-H2O]+ 479.28562 211.4
[M+HCOO]- 541.28656 221.5
[M+CH3COO]- 555.30221 232.1
[M+Na-2H]- 517.26303 212.5
[M]+ 496.28781 221.5
[M]- 496.28891 221.5
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.