CID 116747

71173-50-7

Structural Information

Molecular Formula
C18H20O3
SMILES
CC(C)(C)C1=CC2=C(C=C1)C(=O)C34CCCCC3(C2=O)O4
InChI
InChI=1S/C18H20O3/c1-16(2,3)11-6-7-12-13(10-11)15(20)18-9-5-4-8-17(18,21-18)14(12)19/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey
WAHCBTNFLYHHGV-UHFFFAOYSA-N
Compound name
5-tert-butyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 168.7
[M+Na]+ 307.13046 183.4
[M+NH4]+ 302.17506 181.2
[M+K]+ 323.10440 174.5
[M-H]- 283.13396 180.7
[M+Na-2H]- 305.11591 178.3
[M]+ 284.14069 176.0
[M]- 284.14179 176.0
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

No patent data available for this compound.