CID 6399255

Oximino oxamyl

Structural Information

Molecular Formula

C₅H₁₀N₂O₂S

SMILES

CN(C)C(=O)/C(=N/O)/SC

InChI

InChI=1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3/b6-4-

InChIKey

KIDWGGCIROEJJW-XQRVVYSFSA-N

Compound name

methyl (1Z)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 60
Patents: 162.0463 Da
Monoisotopic Mass: 1.2
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]+	163.05358	134.2
[M+Na]+	185.03552	140.4
[M-H]-	161.03902	136.3
[M+NH4]+	180.08012	155.5
[M+K]+	201.00946	141.1
[M+H-H2O]+	145.04356	128.3
[M+HCOO]-	207.04450	153.9
[M+CH3COO]-	221.06015	182.3
[M+Na-2H]-	183.02097	135.8
[M]+	162.04575	136.6
[M]-	162.04685	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe