CID 153214758

3-amino-1-imino-1lambda6-thiolan-1-one

Structural Information

Molecular Formula

C₄H₁₀N₂OS

SMILES

C1CS(=N)(=O)CC1N

InChI

InChI=1S/C4H10N2OS/c5-4-1-2-8(6,7)3-4/h4,6H,1-3,5H2

InChIKey

WMMKWEORTZMIQD-UHFFFAOYSA-N

Compound name

1-imino-1-oxothiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 134.05139 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]+	135.05867	122.5
[M+Na]+	157.04061	130.6
[M-H]-	133.04411	126.0
[M+NH4]+	152.08521	147.7
[M+K]+	173.01455	128.5
[M+H-H2O]+	117.04865	118.3
[M+HCOO]-	179.04959	142.8
[M+CH3COO]-	193.06524	171.0
[M+Na-2H]-	155.02606	126.2
[M]+	134.05084	118.9
[M]-	134.05194	118.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.