CID 7500

Ethylbenzene

Structural Information

Molecular Formula

C₈H₁₀

SMILES

CCC1=CC=CC=C1

InChI

InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

YNQLUTRBYVCPMQ-UHFFFAOYSA-N

Compound name

ethylbenzene

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 2323
References: 72956
Patents: 106.07825 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	107.08553	119.5
[M+Na]+	129.06747	133.8
[M+NH4]+	124.11207	130.0
[M+K]+	145.04141	125.9
[M-H]-	105.07097	123.1
[M+Na-2H]-	127.05292	128.8
[M]+	106.07770	122.7
[M]-	106.07880	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe