CID 67340977

Casuarine 6-alpha-d-glucoside

Structural Information

Molecular Formula
C14H25NO10
SMILES
C1C(C(C2N1C(C(C2O)O)CO)O)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C14H25NO10/c16-2-4-8(18)11(21)7-9(19)5(1-15(4)7)24-14-13(23)12(22)10(20)6(3-17)25-14/h4-14,16-23H,1-3H2
InChIKey
KQYACACELNVFOY-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

398
Patents

367.14786 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15514 179.5
[M+Na]+ 390.13708 183.3
[M-H]- 366.14058 176.4
[M+NH4]+ 385.18168 188.7
[M+K]+ 406.11102 181.8
[M+H-H2O]+ 350.14512 176.0
[M+HCOO]- 412.14606 183.4
[M+CH3COO]- 426.16171 203.4
[M+Na-2H]- 388.12253 173.7
[M]+ 367.14731 175.8
[M]- 367.14841 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe