CID 5353758

Lanox 90

Structural Information

Molecular Formula

C₅H₁₀N₂O₂S

SMILES

C/C(=N\OC(=O)NC)/SC

InChI

InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+

InChIKey

UHXUZOCRWCRNSJ-QPJJXVBHSA-N

Compound name

methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 354
References: 40631
Patents: 162.0463 Da
Monoisotopic Mass: 0.6
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	133.8
[M+Na]+	185.03552	140.2
[M-H]-	161.03902	135.8
[M+NH4]+	180.08012	155.1
[M+K]+	201.00946	140.4
[M+H-H2O]+	145.04356	127.8
[M+HCOO]-	207.04450	154.5
[M+CH3COO]-	221.06015	181.4
[M+Na-2H]-	183.02097	136.5
[M]+	162.04575	136.7
[M]-	162.04685	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe