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: 71451
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	110.9
[M+Na]+	96.041983	117.2
[M-H]-	72.045489	111.8
[M+NH4]+	91.086588	133.1
[M+K]+	112.01592	118.2
[M+H-H2O]+	56.050025	105.5
[M+HCOO]-	118.05097	131.6
[M+CH3COO]-	132.06662	154.8
[M+Na-2H]-	94.027431	119.0
[M]+	73.052216	106.6
[M]-	73.053314	106.6

Literature stripe

literature stripe

Patent stripe

patents stripe