CID 129982011

2138522-64-0

Structural Information

Molecular Formula

C₄H₁₀N₂O₂S

SMILES

C1CS(=O)(=O)NC1CN

InChI

InChI=1S/C4H10N2O2S/c5-3-4-1-2-9(7,8)6-4/h4,6H,1-3,5H2

InChIKey

URADXIHNPYWEOA-UHFFFAOYSA-N

Compound name

(1,1-dioxo-1,2-thiazolidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 150.0463 Da
Monoisotopic Mass: -1.4
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]+	151.053576	126.8
[M+Na]+	173.035518	135.3
[M-H]-	149.039024	127.5
[M+NH4]+	168.080123	149.7
[M+K]+	189.009458	132.9
[M+H-H2O]+	133.043560	122.3
[M+HCOO]-	195.044501	143.8
[M+CH3COO]-	209.060151	168.2
[M+Na-2H]-	171.020966	129.6
[M]+	150.04575142	124.1
[M]-	150.04684858	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe