CID 122909

32588-54-8

Structural Information

Molecular Formula
C19H18O2
SMILES
CCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O2/c1-4-19(2,3)12-9-10-15-16(11-12)18(21)14-8-6-5-7-13(14)17(15)20/h5-11H,4H2,1-3H3
InChIKey
WUKWGUZTPMOXOW-UHFFFAOYSA-N
Compound name
2-(2-methylbutan-2-yl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

529
Patents

278.13068 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 164.2
[M+Na]+ 301.11990 173.5
[M-H]- 277.12340 169.8
[M+NH4]+ 296.16450 182.9
[M+K]+ 317.09384 168.5
[M+H-H2O]+ 261.12794 157.6
[M+HCOO]- 323.12888 182.6
[M+CH3COO]- 337.14453 204.4
[M+Na-2H]- 299.10535 170.4
[M]+ 278.13013 166.1
[M]- 278.13123 166.1
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