CID 470395

3-methylxanthen-9-one

Structural Information

Molecular Formula
C14H10O2
SMILES
CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C14H10O2/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15/h2-8H,1H3
InChIKey
QTKFCVKEYDZYAC-UHFFFAOYSA-N
Compound name
3-methylxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

210.06808 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07536 140.0
[M+Na]+ 233.05730 152.3
[M-H]- 209.06080 147.5
[M+NH4]+ 228.10190 160.3
[M+K]+ 249.03124 149.2
[M+H-H2O]+ 193.06534 133.5
[M+HCOO]- 255.06628 163.7
[M+CH3COO]- 269.08193 155.2
[M+Na-2H]- 231.04275 151.5
[M]+ 210.06753 144.5
[M]- 210.06863 144.5
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