CID 129851010

Chebi:155864

Structural Information

Molecular Formula
C19H28O4
SMILES
CCCCCCCCCC(=O)CC1=CC(=C(C(=C1C=O)O)C)O
InChI
InChI=1S/C19H28O4/c1-3-4-5-6-7-8-9-10-16(21)11-15-12-18(22)14(2)19(23)17(15)13-20/h12-13,22-23H,3-11H2,1-2H3
InChIKey
FOEJULHRUDNBNT-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-3-methyl-6-(2-oxoundecyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19876 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 179.6
[M+Na]+ 343.18798 189.8
[M+NH4]+ 338.23258 184.4
[M+K]+ 359.16192 183.5
[M-H]- 319.19148 179.0
[M+Na-2H]- 341.17343 181.2
[M]+ 320.19821 180.6
[M]- 320.19931 180.6
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.