CID 92883

22516-13-8

Structural Information

Molecular Formula

C₇H₁₀

SMILES

CCC1C=CC=C1

InChI

InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-7H,2H2,1H3

InChIKey

CLRIMWMVEVYXAK-UHFFFAOYSA-N

Compound name

5-ethylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1583
Patents: 94.07825 Da
Monoisotopic Mass: 2.7
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]+	95.085526	116.9
[M+Na]+	117.06747	125.2
[M-H]-	93.070974	120.8
[M+NH4]+	112.11207	142.3
[M+K]+	133.04141	124.2
[M+H-H2O]+	77.075510	112.3
[M+HCOO]-	139.07645	142.9
[M+CH3COO]-	153.09210	165.7
[M+Na-2H]-	115.05292	124.1
[M]+	94.077701	116.8
[M]-	94.078799	116.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe