CID 14239337

L-citronellol glucoside

Structural Information

Molecular Formula

C₁₆H₃₀O₆

SMILES

CC(CCC=C(C)C)CCOC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C16H30O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,11-20H,4,6-9H2,1-3H3

InChIKey

BGAILLKFXBSPRD-UHFFFAOYSA-N

Compound name

2-(3,7-dimethyloct-6-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 318.20422 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]+	319.211496	178.7
[M+Na]+	341.193438	181.5
[M-H]-	317.196944	176.4
[M+NH4]+	336.238043	189.5
[M+K]+	357.167378	179.9
[M+H-H2O]+	301.201480	172.9
[M+HCOO]-	363.202421	189.0
[M+CH3COO]-	377.218071	201.9
[M+Na-2H]-	339.178886	174.5
[M]+	318.20367142	178.4
[M]-	318.20476858	178.4

Literature stripe

literature stripe

Patent stripe

patents stripe