CID 69972

Cyclobutene

Structural Information

Molecular Formula

C₄H₆

SMILES

C1CC=C1

InChI

InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2

InChIKey

CFBGXYDUODCMNS-UHFFFAOYSA-N

Compound name

cyclobutene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 85
References: 114993
Patents: 54.04695 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]+	55.054226	101.8
[M+Na]+	77.036168	108.7
[M-H]-	53.039674	105.8
[M+NH4]+	72.080773	120.4
[M+K]+	93.010108	111.9
[M+H-H2O]+	37.044210	93.0
[M+HCOO]-	99.045151	126.3
[M+CH3COO]-	113.06080	162.0
[M+Na-2H]-	75.021616	112.1
[M]+	54.046401	109.4
[M]-	54.047499	109.4

Literature stripe

literature stripe

Patent stripe

patents stripe