CID 11044622

102120-87-6

Structural Information

Molecular Formula
C22H30
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C2=CC=C(C=C2)CC(C)C
InChI
InChI=1S/C22H30/c1-16(2)14-19-6-10-21(11-7-19)18(5)22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3
InChIKey
ZBIVAPCIGWNIEH-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

294.23474 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.24202 175.5
[M+Na]+ 317.22396 179.7
[M-H]- 293.22746 181.3
[M+NH4]+ 312.26856 190.9
[M+K]+ 333.19790 175.4
[M+H-H2O]+ 277.23200 167.6
[M+HCOO]- 339.23294 194.1
[M+CH3COO]- 353.24859 210.9
[M+Na-2H]- 315.20941 174.2
[M]+ 294.23419 176.3
[M]- 294.23529 176.3
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

patents stripe