CID 550922

2-methylenecyclopentanol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C=C1CCCC1O

InChI

InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h6-7H,1-4H2

InChIKey

GQKSJBOBUIUXGZ-UHFFFAOYSA-N

Compound name

2-methylidenecyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 98.073166 Da
Monoisotopic Mass: 0.6
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]+	99.080442	118.9
[M+Na]+	121.062384	126.2
[M-H]-	97.065890	121.1
[M+NH4]+	116.106989	143.3
[M+K]+	137.036324	124.7
[M+H-H2O]+	81.070426	114.7
[M+HCOO]-	143.071367	141.1
[M+CH3COO]-	157.087017	162.7
[M+Na-2H]-	119.047832	123.3
[M]+	98.07261742	114.6
[M]-	98.07371458	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe