CID 69618634

Schembl5953683

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCCCCCCCC(=O)C1=C(C=CC=C1O)O
InChI
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-10-13(17)16-14(18)11-9-12-15(16)19/h9,11-12,18-19H,2-8,10H2,1H3
InChIKey
HVIXPHVEZYJOGW-UHFFFAOYSA-N
Compound name
1-(2,6-dihydroxyphenyl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

264.17255 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 164.8
[M+Na]+ 287.16177 170.1
[M-H]- 263.16527 165.0
[M+NH4]+ 282.20637 180.3
[M+K]+ 303.13571 166.2
[M+H-H2O]+ 247.16981 158.4
[M+HCOO]- 309.17075 183.8
[M+CH3COO]- 323.18640 195.6
[M+Na-2H]- 285.14722 165.6
[M]+ 264.17200 167.2
[M]- 264.17310 167.2
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