CID 91733311

Gwzvglxiayuosk-uhfffaoysa-n

Structural Information

Molecular Formula
C14H18O2
SMILES
CC(=C)CC1=CC(=O)C(=CC1=O)C(C)(C)C
InChI
InChI=1S/C14H18O2/c1-9(2)6-10-7-13(16)11(8-12(10)15)14(3,4)5/h7-8H,1,6H2,2-5H3
InChIKey
GWZVGLXIAYUOSK-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-(2-methylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 146.9
[M+Na]+ 241.119898 155.2
[M-H]- 217.123404 151.0
[M+NH4]+ 236.164503 166.3
[M+K]+ 257.093838 152.6
[M+H-H2O]+ 201.127940 142.2
[M+HCOO]- 263.128881 167.0
[M+CH3COO]- 277.144531 192.2
[M+Na-2H]- 239.105346 149.4
[M]+ 218.13013142 148.1
[M]- 218.13122858 148.1
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.