CID 9570071

Aldicarb

Structural Information

Molecular Formula

C₇H₁₄N₂O₂S

SMILES

CC(C)(/C=N/OC(=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)/b9-5+

InChIKey

QGLZXHRNAYXIBU-WEVVVXLNSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 611
References: 72797
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]+	191.084876	142.4
[M+Na]+	213.066818	148.6
[M-H]-	189.070324	144.2
[M+NH4]+	208.111423	162.7
[M+K]+	229.040758	148.1
[M+H-H2O]+	173.074860	136.6
[M+HCOO]-	235.075801	162.1
[M+CH3COO]-	249.091451	187.6
[M+Na-2H]-	211.052266	146.1
[M]+	190.07705142	146.3
[M]-	190.07814858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe