CID 86290104

Dimethachlor esa

Structural Information

Molecular Formula
C13H19NO5S
SMILES
CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CS(=O)(=O)O
InChI
InChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18)
InChIKey
RVSCDWJKJDBFRS-UHFFFAOYSA-N
Compound name
2-[N-(2-methoxyethyl)-2,6-dimethylanilino]-2-oxoethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

301.0984 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10568 166.0
[M+Na]+ 324.08762 172.5
[M-H]- 300.09112 169.7
[M+NH4]+ 319.13222 181.3
[M+K]+ 340.06156 170.8
[M+H-H2O]+ 284.09566 159.3
[M+HCOO]- 346.09660 182.8
[M+CH3COO]- 360.11225 203.6
[M+Na-2H]- 322.07307 167.2
[M]+ 301.09785 172.7
[M]- 301.09895 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.