CID 9568700

Aldicarb sulfoxide

Structural Information

Molecular Formula

C₇H₁₄N₂O₃S

SMILES

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

InChI

InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+

InChIKey

BXPMAGSOWXBZHS-WEVVVXLNSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 43
References: 176
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]+	207.07979	144.8
[M+Na]+	229.06173	150.8
[M-H]-	205.06523	146.6
[M+NH4]+	224.10633	164.3
[M+K]+	245.03567	150.7
[M+H-H2O]+	189.06977	138.9
[M+HCOO]-	251.07071	163.8
[M+CH3COO]-	265.08636	189.6
[M+Na-2H]-	227.04718	147.6
[M]+	206.07196	148.8
[M]-	206.07306	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe