CID 10244017

4,5-dihydroxy-1-methyl-anthraquinone

Structural Information

Molecular Formula
C15H10O4
SMILES
CC1=C2C(=C(C=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C15H10O4/c1-7-5-6-10(17)13-11(7)14(18)8-3-2-4-9(16)12(8)15(13)19/h2-6,16-17H,1H3
InChIKey
SRVOZHBUHVINKL-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-1-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

254.0579 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 151.4
[M+Na]+ 277.04712 162.8
[M-H]- 253.05062 155.6
[M+NH4]+ 272.09172 170.0
[M+K]+ 293.02106 158.0
[M+H-H2O]+ 237.05516 145.7
[M+HCOO]- 299.05610 170.1
[M+CH3COO]- 313.07175 194.2
[M+Na-2H]- 275.03257 157.0
[M]+ 254.05735 152.7
[M]- 254.05845 152.7
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