CID 288245

1,1,2,2-cyclobutanetetramethanol

Structural Information

Molecular Formula

C₈H₁₆O₄

SMILES

C1CC(C1(CO)CO)(CO)CO

InChI

InChI=1S/C8H16O4/c9-3-7(4-10)1-2-8(7,5-11)6-12/h9-12H,1-6H2

InChIKey

OYZCFPNTSFYPIA-UHFFFAOYSA-N

Compound name

[1,2,2-tris(hydroxymethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.10486 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]+	177.112136	141.6
[M+Na]+	199.094078	146.8
[M-H]-	175.097584	140.1
[M+NH4]+	194.138683	156.4
[M+K]+	215.068018	147.4
[M+H-H2O]+	159.102120	134.6
[M+HCOO]-	221.103061	157.7
[M+CH3COO]-	235.118711	173.3
[M+Na-2H]-	197.079526	146.7
[M]+	176.10431142	148.7
[M]-	176.10540858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe