CID 12476693

2-methoxycyclobutanone

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

COC1CCC1=O

InChI

InChI=1S/C5H8O2/c1-7-5-3-2-4(5)6/h5H,2-3H2,1H3

InChIKey

MUXSJXRJPCNHLM-UHFFFAOYSA-N

Compound name

2-methoxycyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 100.05243 Da
Monoisotopic Mass: 0.0
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]+	101.059706	112.2
[M+Na]+	123.041648	119.4
[M-H]-	99.045154	116.3
[M+NH4]+	118.086253	129.2
[M+K]+	139.015588	122.7
[M+H-H2O]+	83.049690	103.1
[M+HCOO]-	145.050631	135.4
[M+CH3COO]-	159.066281	170.1
[M+Na-2H]-	121.027096	119.3
[M]+	100.05188142	121.5
[M]-	100.05297858	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe