CID 147617

5-methyl-3-nitrosooxazolidine

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

CC1CN(CO1)N=O

InChI

InChI=1S/C4H8N2O2/c1-4-2-6(5-7)3-8-4/h4H,2-3H2,1H3

InChIKey

XNOOYCHPRQVDCU-UHFFFAOYSA-N

Compound name

5-methyl-3-nitroso-1,3-oxazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 116.05858 Da
Monoisotopic Mass: 0.3
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]+	117.065856	119.0
[M+Na]+	139.047798	127.1
[M-H]-	115.051304	123.4
[M+NH4]+	134.092403	141.2
[M+K]+	155.021738	129.2
[M+H-H2O]+	99.055840	113.1
[M+HCOO]-	161.056781	144.0
[M+CH3COO]-	175.072431	171.3
[M+Na-2H]-	137.033246	126.6
[M]+	116.05803142	119.7
[M]-	116.05912858	119.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.