CID 68485905

1621962-33-1

Structural Information

Molecular Formula

C₄H₁₀N₂OS

SMILES

C1CS(=N)(=O)CCN1

InChI

InChI=1S/C4H10N2OS/c5-8(7)3-1-6-2-4-8/h5-6H,1-4H2

InChIKey

LVKJUNIPYABARM-UHFFFAOYSA-N

Compound name

1-imino-1,4-thiazinane 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 134.05139 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]+	135.05867	123.4
[M+Na]+	157.04061	130.0
[M-H]-	133.04411	124.0
[M+NH4]+	152.08521	145.0
[M+K]+	173.01455	127.5
[M+H-H2O]+	117.04865	118.4
[M+HCOO]-	179.04959	138.6
[M+CH3COO]-	193.06524	165.9
[M+Na-2H]-	155.02606	129.0
[M]+	134.05084	117.6
[M]-	134.05194	117.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe