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

948
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 144.0
[M+Na]+ 233.09368 153.7
[M-H]- 209.09718 150.5
[M+NH4]+ 228.13828 164.2
[M+K]+ 249.06762 150.6
[M+H-H2O]+ 193.10172 137.5
[M+HCOO]- 255.10266 164.2
[M+CH3COO]- 269.11831 157.8
[M+Na-2H]- 231.07913 153.0
[M]+ 210.10391 145.2
[M]- 210.10501 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