CID 90569

Anthraquinone, 2-isopentyl-

Structural Information

Molecular Formula
C19H18O2
SMILES
CC(C)CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O2/c1-12(2)7-8-13-9-10-16-17(11-13)19(21)15-6-4-3-5-14(15)18(16)20/h3-6,9-12H,7-8H2,1-2H3
InChIKey
CQYMOXYSVSNADQ-UHFFFAOYSA-N
Compound name
2-(3-methylbutyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

278.13068 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 163.5
[M+Na]+ 301.11990 172.1
[M-H]- 277.12340 168.9
[M+NH4]+ 296.16450 182.0
[M+K]+ 317.09384 167.0
[M+H-H2O]+ 261.12794 156.4
[M+HCOO]- 323.12888 182.5
[M+CH3COO]- 337.14453 204.8
[M+Na-2H]- 299.10535 167.7
[M]+ 278.13013 165.2
[M]- 278.13123 165.2
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