CID 129932876

Ns00133543

Structural Information

Molecular Formula

C₅H₈N₄O₂S

SMILES

CN=C(NC#N)N1CCS1(=O)=O

InChI

InChI=1S/C5H8N4O2S/c1-7-5(8-4-6)9-2-3-12(9,10)11/h2-3H2,1H3,(H,7,8)

InChIKey

VUFLKEVRWDFHCP-UHFFFAOYSA-N

Compound name

N-cyano-N'-methyl-1,1-dioxothiazetidine-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.0368 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]+	189.044076	136.8
[M+Na]+	211.026018	143.4
[M-H]-	187.029524	140.3
[M+NH4]+	206.070623	149.2
[M+K]+	226.999958	147.5
[M+H-H2O]+	171.034060	119.0
[M+HCOO]-	233.035001	151.8
[M+CH3COO]-	247.050651	198.0
[M+Na-2H]-	209.011466	140.6
[M]+	188.03625142	140.4
[M]-	188.03734858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.