CID 62204

1,3-pentadiene

Structural Information

Molecular Formula

C₅H₈

SMILES

C/C=C/C=C

InChI

InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+

InChIKey

PMJHHCWVYXUKFD-SNAWJCMRSA-N

Compound name

(3E)-penta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 211
References: 120882
Patents: 68.0626 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]+	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