CID 20121647

2-[(6-chloropyridazin-3-yl)(methyl)amino]acetic acid

Structural Information

Molecular Formula
C7H8ClN3O2
SMILES
CN(CC(=O)O)C1=NN=C(C=C1)Cl
InChI
InChI=1S/C7H8ClN3O2/c1-11(4-7(12)13)6-3-2-5(8)9-10-6/h2-3H,4H2,1H3,(H,12,13)
InChIKey
DKHGVAYHAZQICB-UHFFFAOYSA-N
Compound name
2-[(6-chloropyridazin-3-yl)-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0305 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.037776 137.8
[M+Na]+ 224.019718 146.5
[M-H]- 200.023224 139.0
[M+NH4]+ 219.064323 154.8
[M+K]+ 239.993658 144.3
[M+H-H2O]+ 184.027760 131.1
[M+HCOO]- 246.028701 155.5
[M+CH3COO]- 260.044351 185.4
[M+Na-2H]- 222.005166 144.0
[M]+ 201.02995142 140.5
[M]- 201.03104858 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.