CID 14924483

Alachlor oa

Structural Information

Molecular Formula
C14H19NO4
SMILES
CCC1=C(C(=CC=C1)CC)N(COC)C(=O)C(=O)O
InChI
InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKey
MHCYOELBTPOBIU-UHFFFAOYSA-N
Compound name
2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

19
Patents

265.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.8
[M+Na]+ 288.12062 166.8
[M-H]- 264.12412 164.5
[M+NH4]+ 283.16522 177.3
[M+K]+ 304.09456 166.3
[M+H-H2O]+ 248.12866 154.1
[M+HCOO]- 310.12960 183.1
[M+CH3COO]- 324.14525 201.4
[M+Na-2H]- 286.10607 161.7
[M]+ 265.13085 164.9
[M]- 265.13195 164.9
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