CID 25810

13256-21-8

Structural Information

Molecular Formula

C₅H₁₀N₂O₃S

SMILES

CN(C1CCS(=O)(=O)C1)N=O

InChI

InChI=1S/C5H10N2O3S/c1-7(6-8)5-2-3-11(9,10)4-5/h5H,2-4H2,1H3

InChIKey

PRZXZYVFNZCXQH-UHFFFAOYSA-N

Compound name

N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 178.04121 Da
Monoisotopic Mass: -0.2
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]+	179.04849	136.2
[M+Na]+	201.03043	143.6
[M+NH4]+	196.07503	145.2
[M+K]+	217.00437	137.8
[M-H]-	177.03393	137.4
[M+Na-2H]-	199.01588	141.3
[M]+	178.04066	137.7
[M]-	178.04176	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe