CID 132327671

N'-hydroxythiane-4-carboximidamide

Structural Information

Molecular Formula

C₆H₁₂N₂OS

SMILES

C1CSCCC1/C(=N/O)/N

InChI

InChI=1S/C6H12N2OS/c7-6(8-9)5-1-3-10-4-2-5/h5,9H,1-4H2,(H2,7,8)

InChIKey

XKZCGRRQQYCBPA-UHFFFAOYSA-N

Compound name

N'-hydroxythiane-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.06703 Da
Monoisotopic Mass: 0.5
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]+	161.07431	132.3
[M+Na]+	183.05625	136.2
[M-H]-	159.05975	134.5
[M+NH4]+	178.10085	152.2
[M+K]+	199.03019	134.4
[M+H-H2O]+	143.06429	126.2
[M+HCOO]-	205.06523	148.7
[M+CH3COO]-	219.08088	177.6
[M+Na-2H]-	181.04170	134.4
[M]+	160.06648	126.4
[M]-	160.06758	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe