CID 13765184

Benzene, 1-(1-methylethyl)-2-(1-phenylethyl)-

Structural Information

Molecular Formula
C17H20
SMILES
CC(C)C1=CC=CC=C1C(C)C2=CC=CC=C2
InChI
InChI=1S/C17H20/c1-13(2)16-11-7-8-12-17(16)14(3)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKey
RVJXUBXQGJPVJW-UHFFFAOYSA-N
Compound name
1-(1-phenylethyl)-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

68
Patents

224.1565 Da
Monoisotopic Mass

5.3
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

No literature data available for this compound.

Patent stripe

patents stripe