CID 140642

1-methylcyclobutanol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC1(CCC1)O

InChI

InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3

InChIKey

DQWVUKFABWSFJD-UHFFFAOYSA-N

Compound name

1-methylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1095
Patents: 86.073166 Da
Monoisotopic Mass: 0.4
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	114.5
[M+Na]+	109.062384	121.1
[M-H]-	85.065890	117.4
[M+NH4]+	104.106989	133.2
[M+K]+	125.036324	123.6
[M+H-H2O]+	69.070426	106.8
[M+HCOO]-	131.071367	135.8
[M+CH3COO]-	145.087017	165.0
[M+Na-2H]-	107.047832	122.6
[M]+	86.07261742	121.1
[M]-	86.07371458	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe