CID 12580773

71400-29-8

Structural Information

Molecular Formula
C30H38
SMILES
CCC(C)CC(C1=CC=CC=C1)C2=CC(=CC=C2)C(CC(C)CC)C3=CC=CC=C3
InChI
InChI=1S/C30H38/c1-5-23(3)20-29(25-14-9-7-10-15-25)27-18-13-19-28(22-27)30(21-24(4)6-2)26-16-11-8-12-17-26/h7-19,22-24,29-30H,5-6,20-21H2,1-4H3
InChIKey
AFOGBTRZYDDRIP-UHFFFAOYSA-N
Compound name
1,3-bis(3-methyl-1-phenylpentyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

183
Patents

398.29736 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.30464 206.3
[M+Na]+ 421.28658 206.7
[M-H]- 397.29008 213.5
[M+NH4]+ 416.33118 216.0
[M+K]+ 437.26052 200.5
[M+H-H2O]+ 381.29462 195.7
[M+HCOO]- 443.29556 222.2
[M+CH3COO]- 457.31121 229.7
[M+Na-2H]- 419.27203 202.5
[M]+ 398.29681 205.8
[M]- 398.29791 205.8
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