CID 9250

Cyclobutane

Structural Information

Molecular Formula

C₄H₈

SMILES

C1CCC1

InChI

InChI=1S/C4H8/c1-2-4-3-1/h1-4H2

InChIKey

PMPVIKIVABFJJI-UHFFFAOYSA-N

Compound name

cyclobutane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 406
References: 126055
Patents: 56.0626 Da
Monoisotopic Mass: 2.5
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]+	57.069876	103.8
[M+Na]+	79.051818	109.6
[M-H]-	55.055324	107.4
[M+NH4]+	74.096423	122.1
[M+K]+	95.025758	113.0
[M+H-H2O]+	39.059860	94.9
[M+HCOO]-	101.06080	126.8
[M+CH3COO]-	115.07645	162.4
[M+Na-2H]-	77.037266	113.0
[M]+	56.062051	109.9
[M]-	56.063149	109.9

Literature stripe

literature stripe

Patent stripe

patents stripe