CID 9576739

Butocarboxim sulfoxide

Structural Information

Molecular Formula

C₇H₁₄N₂O₃S

SMILES

CC(/C(=N/OC(=O)NC)/C)S(=O)C

InChI

InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+

InChIKey

RCTCYOQIGNPQJH-WEVVVXLNSA-N

Compound name

[(E)-3-methylsulfinylbutan-2-ylideneamino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6
Patents: 206.07251 Da
Monoisotopic Mass: -0.2
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]+	207.079786	145.5
[M+Na]+	229.061728	150.5
[M-H]-	205.065234	147.1
[M+NH4]+	224.106333	164.6
[M+K]+	245.035668	151.1
[M+H-H2O]+	189.069770	139.1
[M+HCOO]-	251.070711	163.9
[M+CH3COO]-	265.086361	191.2
[M+Na-2H]-	227.047176	145.1
[M]+	206.07196142	148.7
[M]-	206.07305858	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe