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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 163.2
[M+Na]+ 289.14102 173.1
[M+NH4]+ 284.18562 168.9
[M+K]+ 305.11496 168.2
[M-H]- 265.14452 162.7
[M+Na-2H]- 287.12647 166.1
[M]+ 266.15125 164.2
[M]- 266.15235 164.2
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.