CID 536661

5-methyloxazolidine

Structural Information

Molecular Formula

SMILES

CC1CNCO1

InChI

InChI=1S/C4H9NO/c1-4-2-5-3-6-4/h4-5H,2-3H2,1H3

InChIKey

HBVZPVWFLGXUAU-UHFFFAOYSA-N

Compound name

5-methyl-1,3-oxazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 296
Patents: 87.06841 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]+	88.075686	115.3
[M+Na]+	110.057628	122.2
[M-H]-	86.061134	116.4
[M+NH4]+	105.102233	137.3
[M+K]+	126.031568	122.8
[M+H-H2O]+	70.065670	110.0
[M+HCOO]-	132.066611	135.7
[M+CH3COO]-	146.082261	158.9
[M+Na-2H]-	108.043076	122.2
[M]+	87.06786142	111.8
[M]-	87.06895858	111.8

Literature stripe

literature stripe

Patent stripe

patents stripe