CID 70379

1-methylanthraquinone

Structural Information

Molecular Formula
C15H10O2
SMILES
CC1=C2C(=CC=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O2/c1-9-5-4-8-12-13(9)15(17)11-7-3-2-6-10(11)14(12)16/h2-8H,1H3
InChIKey
RBGUKBSLNOTVCD-UHFFFAOYSA-N
Compound name
1-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3928
Patents

222.06808 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.075356 144.4
[M+Na]+ 245.057298 155.2
[M-H]- 221.060804 150.7
[M+NH4]+ 240.101903 165.4
[M+K]+ 261.031238 150.6
[M+H-H2O]+ 205.065340 138.0
[M+HCOO]- 267.066281 166.0
[M+CH3COO]- 281.081931 158.4
[M+Na-2H]- 243.042746 152.1
[M]+ 222.06753142 145.5
[M]- 222.06862858 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