CID 8004

1-pentene

Structural Information

Molecular Formula

C₅H₁₀

SMILES

CCCC=C

InChI

InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3

InChIKey

YWAKXRMUMFPDSH-UHFFFAOYSA-N

Compound name

pent-1-ene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 139
References: 52616
Patents: 70.07825 Da
Monoisotopic Mass: 2.4
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]+	71.085526	112.6
[M+Na]+	93.067468	124.5
[M+NH4]+	88.112073	122.0
[M+K]+	109.04141	117.7
[M-H]-	69.070974	113.2
[M+Na-2H]-	91.052916	118.1
[M]+	70.077701	114.4
[M]-	70.078799	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe