CID 595971

Phenol, 2-[3-oxododecanoyl]-

Structural Information

Molecular Formula
C18H26O3
SMILES
CCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-15(19)14-18(21)16-12-9-10-13-17(16)20/h9-10,12-13,20H,2-8,11,14H2,1H3
InChIKey
BOCZHDNKOXONMK-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)dodecane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1882 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.195476 173.0
[M+Na]+ 313.177418 176.9
[M-H]- 289.180924 173.9
[M+NH4]+ 308.222023 187.7
[M+K]+ 329.151358 173.3
[M+H-H2O]+ 273.185460 165.9
[M+HCOO]- 335.186401 192.0
[M+CH3COO]- 349.202051 202.9
[M+Na-2H]- 311.162866 172.6
[M]+ 290.18765142 176.3
[M]- 290.18874858 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.