CID 57183928

(r)-metalaxyl acid

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)O)C(=O)COC
InChI
InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKey
ZRIKZVLHMGYCIR-LLVKDONJSA-N
Compound name
(2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

161
Patents

265.1314 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.3
[M+Na]+ 288.12062 165.9
[M-H]- 264.12412 164.0
[M+NH4]+ 283.16522 176.6
[M+K]+ 304.09456 166.0
[M+H-H2O]+ 248.12866 153.7
[M+HCOO]- 310.12960 181.5
[M+CH3COO]- 324.14525 203.1
[M+Na-2H]- 286.10607 160.0
[M]+ 265.13085 163.9
[M]- 265.13195 163.9
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