CID 131753154

Isopropyl apiosylglucoside

Structural Information

Molecular Formula
C14H26O10
SMILES
CC(C)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O
InChI
InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3
InChIKey
ADFAUEYXQCOXBX-UHFFFAOYSA-N
Compound name
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1526 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15988 176.4
[M+Na]+ 377.14182 179.7
[M-H]- 353.14532 176.0
[M+NH4]+ 372.18642 186.3
[M+K]+ 393.11576 181.1
[M+H-H2O]+ 337.14986 172.4
[M+HCOO]- 399.15080 183.8
[M+CH3COO]- 413.16645 201.8
[M+Na-2H]- 375.12727 174.6
[M]+ 354.15205 176.6
[M]- 354.15315 176.6
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.