CID 5357698

15795-64-9

Structural Information

Molecular Formula
C14H14O5
SMILES
COC1=CC=CC2=CC(=C(C(=C2C1=O)O)OC)OC
InChI
InChI=1S/C14H14O5/c1-17-9-6-4-5-8-7-10(18-2)14(19-3)13(16)11(8)12(9)15/h4-7,16H,1-3H3
InChIKey
XTJAFDFIRGFIHA-UHFFFAOYSA-N
Compound name
4-hydroxy-2,3,6-trimethoxybenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

262.08414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 150.2
[M+Na]+ 285.07336 159.9
[M-H]- 261.07686 156.3
[M+NH4]+ 280.11796 167.4
[M+K]+ 301.04730 163.3
[M+H-H2O]+ 245.08140 145.9
[M+HCOO]- 307.08234 173.3
[M+CH3COO]- 321.09799 197.4
[M+Na-2H]- 283.05881 156.0
[M]+ 262.08359 155.3
[M]- 262.08469 155.3
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