CID 642540

1988-11-0

Structural Information

Molecular Formula
C12H16O2
SMILES
CC(C)C1=CC(=O)C=C(C1=O)C(C)C
InChI
InChI=1S/C12H16O2/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,1-4H3
InChIKey
DDXYWFGBQZICBD-UHFFFAOYSA-N
Compound name
2,6-di(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

231
Patents

192.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.8
[M+Na]+ 215.10426 154.9
[M+NH4]+ 210.14886 150.6
[M+K]+ 231.07820 149.5
[M-H]- 191.10776 144.2
[M+Na-2H]- 213.08971 147.5
[M]+ 192.11449 144.8
[M]- 192.11559 144.8
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