CID 372741

7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione

Structural Information

Molecular Formula
C20H24O2
SMILES
CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC=C(C)C
InChI
InChI=1S/C20H24O2/c1-12(2)7-6-8-16-14(5)9-10-15-11-17(13(3)4)19(21)20(22)18(15)16/h7,9-11,13H,6,8H2,1-5H3
InChIKey
FWJDKZSXXFWHPR-UHFFFAOYSA-N
Compound name
7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

296.17764 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18492 169.5
[M+Na]+ 319.16686 177.5
[M-H]- 295.17036 174.1
[M+NH4]+ 314.21146 186.8
[M+K]+ 335.14080 172.9
[M+H-H2O]+ 279.17490 163.3
[M+HCOO]- 341.17584 187.8
[M+CH3COO]- 355.19149 210.8
[M+Na-2H]- 317.15231 168.5
[M]+ 296.17709 172.1
[M]- 296.17819 172.1
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