CID 6707

1-methoxyanthraquinone

Structural Information

Molecular Formula
C15H10O3
SMILES
COC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3
InChIKey
CQGDBBBZCJYDRY-UHFFFAOYSA-N
Compound name
1-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

933
Patents

238.06299 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 147.8
[M+Na]+ 261.05221 158.4
[M-H]- 237.05571 154.0
[M+NH4]+ 256.09681 168.0
[M+K]+ 277.02615 154.4
[M+H-H2O]+ 221.06025 141.1
[M+HCOO]- 283.06119 169.5
[M+CH3COO]- 297.07684 194.2
[M+Na-2H]- 259.03766 155.5
[M]+ 238.06244 150.3
[M]- 238.06354 150.3
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