CID 92369

7439-15-8

Structural Information

Molecular Formula
C16H18
SMILES
CCC1=CC=C(C=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C16H18/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKey
BDEIYMXBPHSOSG-UHFFFAOYSA-N
Compound name
1-ethyl-4-(2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

210.14085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 148.3
[M+Na]+ 233.13007 155.1
[M-H]- 209.13357 154.7
[M+NH4]+ 228.17467 167.1
[M+K]+ 249.10401 150.7
[M+H-H2O]+ 193.13811 141.0
[M+HCOO]- 255.13905 172.1
[M+CH3COO]- 269.15470 189.3
[M+Na-2H]- 231.11552 154.7
[M]+ 210.14030 148.5
[M]- 210.14140 148.5
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