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 178.3
[M+Na]+ 343.18798 184.3
[M-H]- 319.19148 178.8
[M+NH4]+ 338.23258 192.0
[M+K]+ 359.16192 179.9
[M+H-H2O]+ 303.19602 171.7
[M+HCOO]- 365.19696 196.7
[M+CH3COO]- 379.21261 208.4
[M+Na-2H]- 341.17343 176.4
[M]+ 320.19821 183.4
[M]- 320.19931 183.4
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.