CID 1377918

52986-55-7

Structural Information

Molecular Formula
C20H20O2
SMILES
CC(C)(C)CC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H20O2/c1-20(2,3)12-13-8-10-14(11-9-13)17-18(21)15-6-4-5-7-16(15)19(17)22/h4-11,17H,12H2,1-3H3
InChIKey
OXXHJRJOXLDNRP-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dimethylpropyl)phenyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.14633 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15361 169.7
[M+Na]+ 315.13555 178.7
[M-H]- 291.13905 177.9
[M+NH4]+ 310.18015 188.7
[M+K]+ 331.10949 173.6
[M+H-H2O]+ 275.14359 163.4
[M+HCOO]- 337.14453 190.5
[M+CH3COO]- 351.16018 204.6
[M+Na-2H]- 313.12100 172.2
[M]+ 292.14578 171.5
[M]- 292.14688 171.5
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.