CID 15302224

(2-ethylbut-1-en-1-yl)benzene

Structural Information

Molecular Formula
C12H16
SMILES
CCC(=CC1=CC=CC=C1)CC
InChI
InChI=1S/C12H16/c1-3-11(4-2)10-12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3
InChIKey
DDBYLRWHHCWVID-UHFFFAOYSA-N
Compound name
2-ethylbut-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4194
Patents

160.1252 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 137.5
[M+Na]+ 183.11442 150.7
[M+NH4]+ 178.15902 147.0
[M+K]+ 199.08836 142.5
[M-H]- 159.11792 140.5
[M+Na-2H]- 181.09987 145.1
[M]+ 160.12465 140.3
[M]- 160.12575 140.3
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