CID 5353758

Methomex

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

8
Annotation Hits: 354
References: 26608
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	135.4
[M+Na]+	185.03552	142.8
[M+NH4]+	180.08012	142.5
[M+K]+	201.00946	137.1
[M-H]-	161.03902	135.2
[M+Na-2H]-	183.02097	137.8
[M]+	162.04575	136.4
[M]-	162.04685	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe