CID 142383

3-methoxy-1-cyclopentene

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

COC1CCC=C1

InChI

InChI=1S/C6H10O/c1-7-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3

InChIKey

PUNAFIBTAHETMN-UHFFFAOYSA-N

Compound name

3-methoxycyclopentene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 98.073166 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]+	99.080442	117.8
[M+Na]+	121.062384	125.3
[M-H]-	97.065890	121.4
[M+NH4]+	116.106989	142.8
[M+K]+	137.036324	125.3
[M+H-H2O]+	81.070426	113.1
[M+HCOO]-	143.071367	142.8
[M+CH3COO]-	157.087017	164.9
[M+Na-2H]-	119.047832	124.4
[M]+	98.07261742	117.3
[M]-	98.07371458	117.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe