CID 142262

7515-29-9

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC(C1CCC1)O

InChI

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

InChIKey

PFGPCAYJUYSJJS-UHFFFAOYSA-N

Compound name

1-cyclobutylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 749
Patents: 100.08881 Da
Monoisotopic Mass: 1.3
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]+	101.096086	119.5
[M+Na]+	123.078028	124.5
[M-H]-	99.081534	121.7
[M+NH4]+	118.122633	135.6
[M+K]+	139.051968	127.2
[M+H-H2O]+	83.086070	110.2
[M+HCOO]-	145.087011	139.5
[M+CH3COO]-	159.102661	169.2
[M+Na-2H]-	121.063476	124.7
[M]+	100.08826142	125.5
[M]-	100.08935858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe