CID 11482504

4-isogingerol

Structural Information

Molecular Formula

C₁₅H₂₂O₄

SMILES

CCCC(=O)CC(CCC1=CC(=C(C=C1)O)OC)O

InChI

InChI=1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,13,17-18H,3-5,7,10H2,1-2H3

InChIKey

RGSRPNZPGBVHPU-UHFFFAOYSA-N

Compound name

6-hydroxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1518 Da
Monoisotopic Mass: 1.4
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]+	267.159076	163.3
[M+Na]+	289.141018	168.6
[M-H]-	265.144524	163.7
[M+NH4]+	284.185623	178.5
[M+K]+	305.114958	166.1
[M+H-H2O]+	249.149060	156.9
[M+HCOO]-	311.150001	181.8
[M+CH3COO]-	325.165651	195.6
[M+Na-2H]-	287.126466	163.4
[M]+	266.15125142	166.1
[M]-	266.15234858	166.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.