CID 3400726

19477-39-5

Structural Information

Molecular Formula
C19H20O3
SMILES
C1CC(CC=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O
InChI
InChI=1S/C19H20O3/c20-17-14-10-4-5-11-15(14)18(21)19(22)16(17)12-6-9-13-7-2-1-3-8-13/h1-2,4-5,10-11,13,20H,3,6-9,12H2
InChIKey
FUVMJWVWKCUUMW-UHFFFAOYSA-N
Compound name
3-(3-cyclohex-3-en-1-ylpropyl)-4-hydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 169.7
[M+Na]+ 319.13046 183.5
[M+NH4]+ 314.17506 178.1
[M+K]+ 335.10440 175.1
[M-H]- 295.13396 174.0
[M+Na-2H]- 317.11591 175.9
[M]+ 296.14069 172.9
[M]- 296.14179 172.9
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.