CID 528174

499109-95-4

Structural Information

Molecular Formula

C₉H₁₄

SMILES

CCCCC1=CCC=C1

InChI

InChI=1S/C9H14/c1-2-3-6-9-7-4-5-8-9/h4,7-8H,2-3,5-6H2,1H3

InChIKey

HILJWHUIEBFFEW-UHFFFAOYSA-N

Compound name

2-butylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1229
Patents: 122.10955 Da
Monoisotopic Mass: 3.3
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]+	123.11683	126.7
[M+Na]+	145.09877	138.7
[M+NH4]+	140.14337	136.7
[M+K]+	161.07271	132.8
[M-H]-	121.10227	129.3
[M+Na-2H]-	143.08422	133.6
[M]+	122.10900	129.1
[M]-	122.11010	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe