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 167.6
[M+Na]+ 307.13046 177.5
[M-H]- 283.13396 176.5
[M+NH4]+ 302.17506 183.5
[M+K]+ 323.10440 176.1
[M+H-H2O]+ 267.13850 161.4
[M+HCOO]- 329.13944 181.2
[M+CH3COO]- 343.15509 204.4
[M+Na-2H]- 305.11591 175.2
[M]+ 284.14069 170.5
[M]- 284.14179 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.