CID 66532

2-tert-butylanthraquinone

Structural Information

Molecular Formula
C18H16O2
SMILES
CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3
InChIKey
YTPSFXZMJKMUJE-UHFFFAOYSA-N
Compound name
2-tert-butylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

22423
Patents

264.11502 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 159.8
[M+Na]+ 287.10424 175.4
[M+NH4]+ 282.14884 169.4
[M+K]+ 303.07818 167.2
[M-H]- 263.10774 163.4
[M+Na-2H]- 285.08969 166.5
[M]+ 264.11447 163.3
[M]- 264.11557 163.3
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