CID 21596552

2-cyclobutoxyethan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C1CC(C1)OCCO

InChI

InChI=1S/C6H12O2/c7-4-5-8-6-2-1-3-6/h6-7H,1-5H2

InChIKey

SCDCYOYWYGAEIX-UHFFFAOYSA-N

Compound name

2-cyclobutyloxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 116.08373 Da
Monoisotopic Mass: 0.3
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]+	117.091006	120.1
[M+Na]+	139.072948	125.2
[M-H]-	115.076454	122.1
[M+NH4]+	134.117553	135.5
[M+K]+	155.046888	128.0
[M+H-H2O]+	99.080990	110.5
[M+HCOO]-	161.081931	141.2
[M+CH3COO]-	175.097581	170.3
[M+Na-2H]-	137.058396	126.6
[M]+	116.08318142	128.1
[M]-	116.08427858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe