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
8
Annotation Hits

611
References

70666
Patents

190.0776 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08488 142.4
[M+Na]+ 213.06682 148.6
[M-H]- 189.07032 144.2
[M+NH4]+ 208.11142 162.7
[M+K]+ 229.04076 148.1
[M+H-H2O]+ 173.07486 136.6
[M+HCOO]- 235.07580 162.1
[M+CH3COO]- 249.09145 187.6
[M+Na-2H]- 211.05227 146.1
[M]+ 190.07705 146.3
[M]- 190.07815 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.