CID 21117016

Cba11322

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCCCC(=O)CCCCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H26O3/c1-3-4-5-9-15(18)10-7-6-8-14-11-12-16(19)17(13-14)20-2/h11-13,19H,3-10H2,1-2H3
InChIKey
IKCUWBHTOKPRNS-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)decan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.195476 168.9
[M+Na]+ 301.177418 174.2
[M-H]- 277.180924 170.3
[M+NH4]+ 296.222023 184.6
[M+K]+ 317.151358 170.9
[M+H-H2O]+ 261.185460 162.1
[M+HCOO]- 323.186401 189.1
[M+CH3COO]- 337.202051 201.1
[M+Na-2H]- 299.162866 169.6
[M]+ 278.18765142 173.6
[M]- 278.18874858 173.6
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.