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]+ 285.148516 167.6
[M+Na]+ 307.130458 177.5
[M-H]- 283.133964 176.5
[M+NH4]+ 302.175063 183.5
[M+K]+ 323.104398 176.1
[M+H-H2O]+ 267.138500 161.4
[M+HCOO]- 329.139441 181.2
[M+CH3COO]- 343.155091 204.4
[M+Na-2H]- 305.115906 175.2
[M]+ 284.14069142 170.5
[M]- 284.14178858 170.5
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.