CID 20234583

3-methylcyclobutanol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC1CC(C1)O

InChI

InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3

InChIKey

BIAAEVYMOVFZDJ-UHFFFAOYSA-N

Compound name

3-methylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1046
Patents: 86.073166 Da
Monoisotopic Mass: 0.9
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]+	87.080442	112.7
[M+Na]+	109.062384	119.3
[M-H]-	85.065890	115.4
[M+NH4]+	104.106989	129.7
[M+K]+	125.036324	121.9
[M+H-H2O]+	69.070426	104.0
[M+HCOO]-	131.071367	134.0
[M+CH3COO]-	145.087017	166.5
[M+Na-2H]-	107.047832	119.2
[M]+	86.07261742	119.4
[M]-	86.07371458	119.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe