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

41
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

patents stripe