CID 13336240

Schembl1343616

Structural Information

Molecular Formula
C17H20
SMILES
CC(C)C1=CC=CC=C1CCC2=CC=CC=C2
InChI
InChI=1S/C17H20/c1-14(2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
InChIKey
WOPCYTAIGVBCKZ-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
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 153.2
[M+Na]+ 247.145718 159.3
[M-H]- 223.149224 159.5
[M+NH4]+ 242.190323 171.3
[M+K]+ 263.119658 155.1
[M+H-H2O]+ 207.153760 145.8
[M+HCOO]- 269.154701 175.6
[M+CH3COO]- 283.170351 193.1
[M+Na-2H]- 245.131166 157.8
[M]+ 224.15595142 153.1
[M]- 224.15704858 153.1
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