CID 7612

Cyclopentadiene

Structural Information

Molecular Formula

C₅H₆

SMILES

C1C=CC=C1

InChI

InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2

InChIKey

ZSWFCLXCOIISFI-UHFFFAOYSA-N

Compound name

cyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 14072
References: 202161
Patents: 66.04695 Da
Monoisotopic Mass: 1.8
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]+	67.054226	109.3
[M+Na]+	89.036168	121.7
[M+NH4]+	84.080773	119.9
[M+K]+	105.01011	116.6
[M-H]-	65.039674	112.0
[M+Na-2H]-	87.021616	117.5
[M]+	66.046401	111.8
[M]-	66.047499	111.8

Literature stripe

literature stripe

Patent stripe

patents stripe