CID 36879

Butocarboxim

Structural Information

Molecular Formula

C₇H₁₄N₂O₂S

SMILES

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

InChI

InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)

InChIKey

SFNPDDSJBGRXLW-UHFFFAOYSA-N

Compound name

(3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 5
References: 835
Patents: 190.0776 Da
Monoisotopic Mass: 1.2
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]+	191.08488	143.0
[M+Na]+	213.06682	148.3
[M-H]-	189.07032	144.7
[M+NH4]+	208.11142	163.1
[M+K]+	229.04076	148.4
[M+H-H2O]+	173.07486	136.7
[M+HCOO]-	235.07580	162.1
[M+CH3COO]-	249.09145	189.0
[M+Na-2H]-	211.05227	143.7
[M]+	190.07705	146.2
[M]-	190.07815	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe