CID 14262

Methylenecyclobutane

Structural Information

Molecular Formula

C₅H₈

SMILES

C=C1CCC1

InChI

InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2

InChIKey

QIRVGKYPAOQVNP-UHFFFAOYSA-N

Compound name

methylidenecyclobutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1469
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	107.1
[M+Na]+	91.051818	113.7
[M-H]-	67.055324	111.0
[M+NH4]+	86.096423	125.2
[M+K]+	107.02576	116.2
[M+H-H2O]+	51.059860	98.4
[M+HCOO]-	113.06080	129.9
[M+CH3COO]-	127.07645	165.3
[M+Na-2H]-	89.037266	115.1
[M]+	68.062051	113.2
[M]-	68.063149	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe