CID 83353

3,6-dimethyl-9h-xanthene

Structural Information

Molecular Formula
C15H14O
SMILES
CC1=CC2=C(CC3=C(O2)C=C(C=C3)C)C=C1
InChI
InChI=1S/C15H14O/c1-10-3-5-12-9-13-6-4-11(2)8-15(13)16-14(12)7-10/h3-8H,9H2,1-2H3
InChIKey
ZMMDXPSNHBJVFL-UHFFFAOYSA-N
Compound name
3,6-dimethyl-9H-xanthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

literature stripe

Patent stripe

patents stripe