CID 528182

Dtxsid10849624

Structural Information

Molecular Formula

C₈H₁₂

SMILES

CCCC1=CCC=C1

InChI

InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h3,6-7H,2,4-5H2,1H3

InChIKey

DFODTWUFWMTZID-UHFFFAOYSA-N

Compound name

2-propylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1902
Patents: 108.0939 Da
Monoisotopic Mass: 2.8
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]+	109.101176	121.7
[M+Na]+	131.083118	129.5
[M-H]-	107.086624	125.3
[M+NH4]+	126.127723	146.5
[M+K]+	147.057058	128.3
[M+H-H2O]+	91.091160	116.8
[M+HCOO]-	153.092101	147.3
[M+CH3COO]-	167.107751	168.8
[M+Na-2H]-	129.068566	128.3
[M]+	108.09335142	121.9
[M]-	108.09444858	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe