CID 136333

Isoxazolidine hydrochloride

Structural Information

Molecular Formula

SMILES

C1CNOC1

InChI

InChI=1S/C3H7NO/c1-2-4-5-3-1/h4H,1-3H2

InChIKey

CIISBYKBBMFLEZ-UHFFFAOYSA-N

Compound name

1,2-oxazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 75
References: 39796
Patents: 73.052765 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]+	74.060041	111.6
[M+Na]+	96.041983	121.7
[M+NH4]+	91.086588	120.5
[M+K]+	112.01592	118.7
[M-H]-	72.045489	113.3
[M+Na-2H]-	94.027431	116.4
[M]+	73.052216	113.2
[M]-	73.053314	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe