CID 14312560

Chebi:191506

Structural Information

Molecular Formula

C₁₉H₃₀O₈

SMILES

CC(=O)C=C=C1C(CC(CC1(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C

InChI

InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3

InChIKey

XTODSGVDHGMKSN-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 386.19406 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	387.20134	187.6
[M+Na]+	409.18328	192.0
[M-H]-	385.18678	187.6
[M+NH4]+	404.22788	198.9
[M+K]+	425.15722	190.3
[M+H-H2O]+	369.19132	183.9
[M+HCOO]-	431.19226	193.9
[M+CH3COO]-	445.20791	211.8
[M+Na-2H]-	407.16873	184.6
[M]+	386.19351	184.5
[M]-	386.19461	184.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.