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 195.2
[M+Na]+ 435.18368 196.4
[M-H]- 411.18718 193.0
[M+NH4]+ 430.22828 198.4
[M+K]+ 451.15762 197.8
[M+H-H2O]+ 395.19172 188.2
[M+HCOO]- 457.19266 198.0
[M+CH3COO]- 471.20831 216.1
[M+Na-2H]- 433.16913 189.5
[M]+ 412.19391 194.5
[M]- 412.19501 194.5
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.