CID 18506590

Benzene, 1-(1-methylethyl)-4-(1-phenylethyl)-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

224.1565 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.163776 153.1
[M+Na]+ 247.145718 158.9
[M-H]- 223.149224 159.5
[M+NH4]+ 242.190323 171.2
[M+K]+ 263.119658 155.3
[M+H-H2O]+ 207.153760 145.9
[M+HCOO]- 269.154701 174.5
[M+CH3COO]- 283.170351 194.0
[M+Na-2H]- 245.131166 156.5
[M]+ 224.15595142 152.4
[M]- 224.15704858 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

literature stripe

Patent stripe

patents stripe