CID 111408

68892-28-4

Structural Information

Molecular Formula
C19H18O2
SMILES
CC(C)C(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O2/c1-11(2)12(3)13-8-9-16-17(10-13)19(21)15-7-5-4-6-14(15)18(16)20/h4-12H,1-3H3
InChIKey
GCXJNBMVOYFNMN-UHFFFAOYSA-N
Compound name
2-(3-methylbutan-2-yl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

278.13068 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 163.1
[M+Na]+ 301.11990 171.3
[M-H]- 277.12340 168.6
[M+NH4]+ 296.16450 181.5
[M+K]+ 317.09384 166.9
[M+H-H2O]+ 261.12794 156.2
[M+HCOO]- 323.12888 181.1
[M+CH3COO]- 337.14453 205.8
[M+Na-2H]- 299.10535 166.1
[M]+ 278.13013 164.2
[M]- 278.13123 164.2
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

patents stripe