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
3
Annotation Hits

39
References

25425
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

literature stripe

Patent stripe

patents stripe