CID 131753153

Isopentyl gentiobioside

Structural Information

Molecular Formula
C17H32O11
SMILES
CC(C)CCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3
InChIKey
PPIXDGFHKZNFOD-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(3-methylbutoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

412.19446 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20174 194.2
[M+Na]+ 435.18368 197.8
[M+NH4]+ 430.22828 194.5
[M+K]+ 451.15762 200.0
[M-H]- 411.18718 192.6
[M+Na-2H]- 433.16913 187.7
[M]+ 412.19391 193.3
[M]- 412.19501 193.3
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.