CID 11587

1,4-pentadiene

Structural Information

Molecular Formula

C₅H₈

SMILES

C=CCC=C

InChI

InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2

InChIKey

QYZLKGVUSQXAMU-UHFFFAOYSA-N

Compound name

penta-1,4-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 56
References: 39813
Patents: 68.0626 Da
Monoisotopic Mass: 2.5
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]+	69.069876	112.0
[M+Na]+	91.051818	124.0
[M+NH4]+	86.096423	121.2
[M+K]+	107.02576	117.1
[M-H]-	67.055324	112.4
[M+Na-2H]-	89.037266	117.4
[M]+	68.062051	113.7
[M]-	68.063149	113.7

Literature stripe

literature stripe

Patent stripe

patents stripe