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
3
Annotation Hits

0
References

283
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 139.9
[M+Na]+ 215.10426 148.0
[M-H]- 191.10776 144.1
[M+NH4]+ 210.14886 160.2
[M+K]+ 231.07820 146.5
[M+H-H2O]+ 175.11230 134.9
[M+HCOO]- 237.11324 161.0
[M+CH3COO]- 251.12889 188.3
[M+Na-2H]- 213.08971 141.4
[M]+ 192.11449 141.0
[M]- 192.11559 141.0
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.