CID 3016191

Dimethyl-9h-xanthene

Structural Information

Molecular Formula
C15H14O
SMILES
CC1=C(C2=C(C=C1)OC3=CC=CC=C3C2)C
InChI
InChI=1S/C15H14O/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3
InChIKey
PQPVYEDTTQIKIA-UHFFFAOYSA-N
Compound name
1,2-dimethyl-9H-xanthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

899
Patents

210.10446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 144.4
[M+Na]+ 233.09368 161.5
[M+NH4]+ 228.13828 155.8
[M+K]+ 249.06762 152.4
[M-H]- 209.09718 151.0
[M+Na-2H]- 231.07913 152.4
[M]+ 210.10391 149.1
[M]- 210.10501 149.1
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

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