CID 11588

1,2-pentadiene

Structural Information

Molecular Formula

C₅H₈

SMILES

CCC=C=C

InChI

InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3

InChIKey

LVMTVPFRTKXRPH-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 24019
Patents: 68.0626 Da
Monoisotopic Mass: 1.5
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	112.2
[M+Na]+	91.051818	124.1
[M+NH4]+	86.096423	121.3
[M+K]+	107.02576	117.2
[M-H]-	67.055324	112.6
[M+Na-2H]-	89.037266	117.5
[M]+	68.062051	113.9
[M]-	68.063149	113.9

Literature stripe

literature stripe

Patent stripe

patents stripe