CID 6773

2-methylanthraquinone

Structural Information

Molecular Formula
C15H10O2
SMILES
CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
InChIKey
NJWGQARXZDRHCD-UHFFFAOYSA-N
Compound name
2-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

39
References

22970
Patents

222.06808 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07536 144.4
[M+Na]+ 245.05730 155.2
[M-H]- 221.06080 150.7
[M+NH4]+ 240.10190 165.4
[M+K]+ 261.03124 150.6
[M+H-H2O]+ 205.06534 138.0
[M+HCOO]- 267.06628 166.0
[M+CH3COO]- 281.08193 158.4
[M+Na-2H]- 243.04275 152.1
[M]+ 222.06753 145.5
[M]- 222.06863 145.5
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

No patent data available for this compound.