CID 11771258

Dodecanoylphloroglucinol

Structural Information

Molecular Formula
C18H28O4
SMILES
CCCCCCCCCCCC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C18H28O4/c1-2-3-4-5-6-7-8-9-10-11-15(20)18-16(21)12-14(19)13-17(18)22/h12-13,19,21-22H,2-11H2,1H3
InChIKey
CIJGEBXETKIQOK-UHFFFAOYSA-N
Compound name
1-(2,4,6-trihydroxyphenyl)dodecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

308.19876 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20604 176.6
[M+Na]+ 331.18798 181.3
[M-H]- 307.19148 175.4
[M+NH4]+ 326.23258 189.8
[M+K]+ 347.16192 176.8
[M+H-H2O]+ 291.19602 170.0
[M+HCOO]- 353.19696 193.6
[M+CH3COO]- 367.21261 202.5
[M+Na-2H]- 329.17343 175.2
[M]+ 308.19821 179.7
[M]- 308.19931 179.7
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

patents stripe