CID 57015754

2-cyclobutyl-2-methoxyethan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

COC(CO)C1CCC1

InChI

InChI=1S/C7H14O2/c1-9-7(5-8)6-3-2-4-6/h6-8H,2-5H2,1H3

InChIKey

HJQPOVAZENLXHG-UHFFFAOYSA-N

Compound name

2-cyclobutyl-2-methoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 130.09938 Da
Monoisotopic Mass: 0.7
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]+	131.106656	126.8
[M+Na]+	153.088598	131.2
[M-H]-	129.092104	128.7
[M+NH4]+	148.133203	141.5
[M+K]+	169.062538	134.2
[M+H-H2O]+	113.096640	117.0
[M+HCOO]-	175.097581	146.6
[M+CH3COO]-	189.113231	174.0
[M+Na-2H]-	151.074046	131.4
[M]+	130.09883142	134.5
[M]-	130.09992858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe