CID 37109

2-ethylcyclobutanol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCC1CCC1O

InChI

InChI=1S/C6H12O/c1-2-5-3-4-6(5)7/h5-7H,2-4H2,1H3

InChIKey

JBHZDUFZWBLFID-UHFFFAOYSA-N

Compound name

2-ethylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
Patents: 100.08881 Da
Monoisotopic Mass: 1.2
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]+	101.096086	117.5
[M+Na]+	123.078028	123.7
[M-H]-	99.081534	120.0
[M+NH4]+	118.122633	133.9
[M+K]+	139.051968	125.9
[M+H-H2O]+	83.086070	108.5
[M+HCOO]-	145.087011	138.4
[M+CH3COO]-	159.102661	169.4
[M+Na-2H]-	121.063476	123.4
[M]+	100.08826142	124.5
[M]-	100.08935858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe