CID 131751183

Cis-3-hexenyl b-primeveroside

Structural Information

Molecular Formula
C17H30O10
SMILES
CC/C=C\CCOC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O
InChI
InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-
InChIKey
NVTNXPADRDASMP-ARJAWSKDSA-N
Compound name
2-[(Z)-hex-3-enoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.1839 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19118 191.5
[M+Na]+ 417.17312 193.3
[M-H]- 393.17662 190.3
[M+NH4]+ 412.21772 196.1
[M+K]+ 433.14706 193.1
[M+H-H2O]+ 377.18116 184.3
[M+HCOO]- 439.18210 196.9
[M+CH3COO]- 453.19775 211.3
[M+Na-2H]- 415.15857 187.8
[M]+ 394.18335 190.4
[M]- 394.18445 190.4
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.