CID 447688

Cyclohexyl-hexyl-beta-d-maltoside

Structural Information

Molecular Formula
C24H44O11
SMILES
C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
InChIKey
WUCWJXGMSXTDAV-QKMCSOCLSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(6-cyclohexylhexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

472
Patents

508.28836 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.29564 221.4
[M+Na]+ 531.27758 218.0
[M-H]- 507.28108 220.3
[M+NH4]+ 526.32218 219.9
[M+K]+ 547.25152 218.1
[M+H-H2O]+ 491.28562 212.6
[M+HCOO]- 553.28656 219.8
[M+CH3COO]- 567.30221 233.3
[M+Na-2H]- 529.26303 213.5
[M]+ 508.28781 217.1
[M]- 508.28891 217.1
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