CID 2086

Temik

Structural Information

Molecular Formula

C₇H₁₄N₂O₂S

SMILES

CC(C)(C=NOC(=O)NC)SC

InChI

InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)

InChIKey

QGLZXHRNAYXIBU-UHFFFAOYSA-N

Compound name

[(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 611
References: 70477
Patents: 190.0776 Da
Monoisotopic Mass: 1.1
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]+	191.08488	142.4
[M+Na]+	213.06682	148.6
[M-H]-	189.07032	144.2
[M+NH4]+	208.11142	162.7
[M+K]+	229.04076	148.1
[M+H-H2O]+	173.07486	136.6
[M+HCOO]-	235.07580	162.1
[M+CH3COO]-	249.09145	187.6
[M+Na-2H]-	211.05227	146.1
[M]+	190.07705	146.3
[M]-	190.07815	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe