CID 18506591

Benzene, 1-(1-methylethyl)-3-(1-phenylethyl)-

Structural Information

Molecular Formula
C17H20
SMILES
CC(C)C1=CC(=CC=C1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C17H20/c1-13(2)16-10-7-11-17(12-16)14(3)15-8-5-4-6-9-15/h4-14H,1-3H3
InChIKey
LQBSMDYQONPVPE-UHFFFAOYSA-N
Compound name
1-(1-phenylethyl)-3-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

224.1565 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16378 153.1
[M+Na]+ 247.14572 158.9
[M-H]- 223.14922 159.5
[M+NH4]+ 242.19032 171.2
[M+K]+ 263.11966 155.3
[M+H-H2O]+ 207.15376 145.9
[M+HCOO]- 269.15470 174.5
[M+CH3COO]- 283.17035 194.0
[M+Na-2H]- 245.13117 156.5
[M]+ 224.15595 152.4
[M]- 224.15705 152.4
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