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

penta-1,2-diene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 44265
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	110.4
[M+Na]+	91.051818	118.7
[M-H]-	67.055324	111.1
[M+NH4]+	86.096423	135.2
[M+K]+	107.02576	117.9
[M+H-H2O]+	51.059860	106.9
[M+HCOO]-	113.06080	135.0
[M+CH3COO]-	127.07645	161.8
[M+Na-2H]-	89.037266	118.4
[M]+	68.062051	109.9
[M]-	68.063149	109.9

Literature stripe

literature stripe

Patent stripe

patents stripe