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 168.6
[M+Na]+ 319.13046 174.9
[M-H]- 295.13396 174.2
[M+NH4]+ 314.17506 184.2
[M+K]+ 335.10440 169.6
[M+H-H2O]+ 279.13850 160.8
[M+HCOO]- 341.13944 186.1
[M+CH3COO]- 355.15509 202.6
[M+Na-2H]- 317.11591 170.9
[M]+ 296.14069 166.4
[M]- 296.14179 166.4
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.