CID 18940

4-ethylstyrene

Structural Information

Molecular Formula
C10H12
SMILES
CCC1=CC=C(C=C1)C=C
InChI
InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKey
WHFHDVDXYKOSKI-UHFFFAOYSA-N
Compound name
1-ethenyl-4-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42501
Patents

132.0939 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.101176 125.7
[M+Na]+ 155.083118 134.1
[M-H]- 131.086624 129.6
[M+NH4]+ 150.127723 148.1
[M+K]+ 171.057058 131.5
[M+H-H2O]+ 115.091160 120.7
[M+HCOO]- 177.092101 150.3
[M+CH3COO]- 191.107751 174.7
[M+Na-2H]- 153.068566 133.1
[M]+ 132.09335142 125.8
[M]- 132.09444858 125.8
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