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 176.5
[M+Na]+ 317.22396 190.6
[M+NH4]+ 312.26856 185.5
[M+K]+ 333.19790 181.7
[M-H]- 293.22746 181.9
[M+Na-2H]- 315.20941 184.7
[M]+ 294.23419 180.3
[M]- 294.23529 180.3
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