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

1
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

patents stripe