CID 3016010

2,4-dimethyl-9h-xanthene

Structural Information

Molecular Formula
C15H14O
SMILES
CC1=CC(=C2C(=C1)CC3=CC=CC=C3O2)C
InChI
InChI=1S/C15H14O/c1-10-7-11(2)15-13(8-10)9-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3
InChIKey
DYPXUDSNLBBKIG-UHFFFAOYSA-N
Compound name
2,4-dimethyl-9H-xanthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.10446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.111736 144.0
[M+Na]+ 233.093678 153.7
[M-H]- 209.097184 150.5
[M+NH4]+ 228.138283 164.2
[M+K]+ 249.067618 150.6
[M+H-H2O]+ 193.101720 137.5
[M+HCOO]- 255.102661 164.2
[M+CH3COO]- 269.118311 157.8
[M+Na-2H]- 231.079126 153.0
[M]+ 210.10391142 145.2
[M]- 210.10500858 145.2
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

patents stripe