CID 606997

9,9-dimethylxanthene

Structural Information

Molecular Formula
C15H14O
SMILES
CC1(C2=CC=CC=C2OC3=CC=CC=C31)C
InChI
InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChIKey
MTVNAPYHLASOSX-UHFFFAOYSA-N
Compound name
9,9-dimethylxanthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

1153
Patents

210.10446 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 144.7
[M+Na]+ 233.09368 154.5
[M-H]- 209.09718 151.3
[M+NH4]+ 228.13828 166.7
[M+K]+ 249.06762 151.5
[M+H-H2O]+ 193.10172 138.1
[M+HCOO]- 255.10266 164.9
[M+CH3COO]- 269.11831 158.6
[M+Na-2H]- 231.07913 155.3
[M]+ 210.10391 145.8
[M]- 210.10501 145.8
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