CID 213012

Aminopyralid

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O₂

SMILES

C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N

InChI

InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)

InChIKey

NIXXQNOQHKNPEJ-UHFFFAOYSA-N

Compound name

4-amino-3,6-dichloropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 10
References: 18457
Patents: 205.96498 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.97226	135.1
[M+Na]+	228.95420	146.2
[M-H]-	204.95770	136.0
[M+NH4]+	223.99880	153.3
[M+K]+	244.92814	141.3
[M+H-H2O]+	188.96224	131.2
[M+HCOO]-	250.96318	148.3
[M+CH3COO]-	264.97883	182.8
[M+Na-2H]-	226.93965	139.2
[M]+	205.96443	136.4
[M]-	205.96553	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe