CID 213143

Dicumylmethane

Structural Information

Molecular Formula
C19H24
SMILES
CC(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C19H24/c1-14(2)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)15(3)4/h5-12,14-15H,13H2,1-4H3
InChIKey
GAVRKMGLLRRNRS-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4-[(4-propan-2-ylphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

252.1878 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19508 161.7
[M+Na]+ 275.17702 167.6
[M-H]- 251.18052 168.1
[M+NH4]+ 270.22162 179.0
[M+K]+ 291.15096 163.5
[M+H-H2O]+ 235.18506 154.3
[M+HCOO]- 297.18600 182.5
[M+CH3COO]- 311.20165 201.1
[M+Na-2H]- 273.16247 163.3
[M]+ 252.18725 162.1
[M]- 252.18835 162.1
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