CID 470394

1-methylxanthen-9-one

Structural Information

Molecular Formula
C14H10O2
SMILES
CC1=C2C(=CC=C1)OC3=CC=CC=C3C2=O
InChI
InChI=1S/C14H10O2/c1-9-5-4-8-12-13(9)14(15)10-6-2-3-7-11(10)16-12/h2-8H,1H3
InChIKey
XVEDWGDCDJUXSW-UHFFFAOYSA-N
Compound name
1-methylxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

98
Patents

210.06808 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.