CID 137055

1,3-diphenyl-2-ethylpropane

Structural Information

Molecular Formula
C17H20
SMILES
CCC(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H20/c1-2-15(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3
InChIKey
MGOQUACFAATBIG-UHFFFAOYSA-N
Compound name
2-benzylbutylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

224.1565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.163776 153.8
[M+Na]+ 247.145718 158.9
[M-H]- 223.149224 159.6
[M+NH4]+ 242.190323 171.5
[M+K]+ 263.119658 154.7
[M+H-H2O]+ 207.153760 146.2
[M+HCOO]- 269.154701 176.2
[M+CH3COO]- 283.170351 192.1
[M+Na-2H]- 245.131166 159.1
[M]+ 224.15595142 153.2
[M]- 224.15704858 153.2
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