CID 121630

4,4-dimethyl-2-oxazoline

Structural Information

Molecular Formula

SMILES

CC1(COC=N1)C

InChI

InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3

InChIKey

KOAMXHRRVFDWRQ-UHFFFAOYSA-N

Compound name

4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 46
References: 1993
Patents: 99.06841 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]+	100.075686	115.2
[M+Na]+	122.057628	124.1
[M-H]-	98.061134	118.4
[M+NH4]+	117.102233	139.7
[M+K]+	138.031568	125.4
[M+H-H2O]+	82.065670	110.5
[M+HCOO]-	144.066611	138.4
[M+CH3COO]-	158.082261	163.9
[M+Na-2H]-	120.043076	124.4
[M]+	99.06786142	115.7
[M]-	99.06895858	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe