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

114
Patents

210.14085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 148.3
[M+Na]+ 233.130068 155.1
[M-H]- 209.133574 154.7
[M+NH4]+ 228.174673 167.1
[M+K]+ 249.104008 150.7
[M+H-H2O]+ 193.138110 141.0
[M+HCOO]- 255.139051 172.1
[M+CH3COO]- 269.154701 189.3
[M+Na-2H]- 231.115516 154.7
[M]+ 210.14030142 148.5
[M]- 210.14139858 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