CID 12878837

Metalaxyl-o-desmethyl

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CO
InChI
InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(12(17)8-16)11(3)14(18)19-4/h5-7,11,16H,8H2,1-4H3
InChIKey
HOOCPOQCHBHJLU-UHFFFAOYSA-N
Compound name
methyl 2-(N-(2-hydroxyacetyl)-2,6-dimethylanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

265.1314 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.5
[M+Na]+ 288.12062 166.3
[M-H]- 264.12412 164.3
[M+NH4]+ 283.16522 176.9
[M+K]+ 304.09456 166.3
[M+H-H2O]+ 248.12866 153.9
[M+HCOO]- 310.12960 181.8
[M+CH3COO]- 324.14525 202.4
[M+Na-2H]- 286.10607 160.2
[M]+ 265.13085 164.0
[M]- 265.13195 164.0
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