CID 114957

N-nitroso-1,3-oxazolidine

Structural Information

Molecular Formula

C₃H₆N₂O₂

SMILES

C1COCN1N=O

InChI

InChI=1S/C3H6N2O2/c6-4-5-1-2-7-3-5/h1-3H2

InChIKey

RJIPASZIRLEOEO-UHFFFAOYSA-N

Compound name

3-nitroso-1,3-oxazolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 4
Patents: 102.04293 Da
Monoisotopic Mass: -0.1
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]+	103.05021	114.6
[M+Na]+	125.03215	122.1
[M-H]-	101.03565	118.6
[M+NH4]+	120.07675	136.9
[M+K]+	141.00609	124.5
[M+H-H2O]+	85.040190	108.4
[M+HCOO]-	147.04113	139.8
[M+CH3COO]-	161.05678	167.2
[M+Na-2H]-	123.01760	123.4
[M]+	102.04238	114.5
[M]-	102.04348	114.5

Literature stripe

literature stripe

Patent stripe

patents stripe