CID 38235

Thiofanox

Structural Information

Molecular Formula

C₉H₁₈N₂O₂S

SMILES

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

InChI

InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)

InChIKey

FZSVSABTBYGOQH-UHFFFAOYSA-N

Compound name

[(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 10
References: 20333
Patents: 218.1089 Da
Monoisotopic Mass: 2.2
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]+	219.11618	153.4
[M+Na]+	241.09812	159.7
[M+NH4]+	236.14272	159.7
[M+K]+	257.07206	154.3
[M-H]-	217.10162	152.4
[M+Na-2H]-	239.08357	154.8
[M]+	218.10835	154.1
[M]-	218.10945	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe