CID 87014

2-(hydroxymethyl)anthraquinone

Structural Information

Molecular Formula
C15H10O3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO
InChI
InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2
InChIKey
JYKHAJGLEVKEAA-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

427
Patents

238.06299 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 148.2
[M+Na]+ 261.05221 158.4
[M-H]- 237.05571 153.0
[M+NH4]+ 256.09681 167.7
[M+K]+ 277.02615 153.5
[M+H-H2O]+ 221.06025 141.9
[M+HCOO]- 283.06119 168.4
[M+CH3COO]- 297.07684 191.7
[M+Na-2H]- 259.03766 155.5
[M]+ 238.06244 148.9
[M]- 238.06354 148.9
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