CID 3022709

Cyclobutane-1,3-diol

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

C1C(CC1O)O

InChI

InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2

InChIKey

STENYDAIMALDKF-UHFFFAOYSA-N

Compound name

cyclobutane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1795
Patents: 88.05243 Da
Monoisotopic Mass: -0.5
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]+	89.059706	113.8
[M+Na]+	111.04165	119.7
[M+NH4]+	106.08625	118.3
[M+K]+	127.01559	117.5
[M-H]-	87.045154	111.4
[M+Na-2H]-	109.02710	115.9
[M]+	88.051881	112.5
[M]-	88.052979	112.5

Literature stripe

literature stripe

Patent stripe

patents stripe