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]+ 202.03778 137.8
[M+Na]+ 224.01972 146.5
[M-H]- 200.02322 139.0
[M+NH4]+ 219.06432 154.8
[M+K]+ 239.99366 144.3
[M+H-H2O]+ 184.02776 131.1
[M+HCOO]- 246.02870 155.5
[M+CH3COO]- 260.04435 185.4
[M+Na-2H]- 222.00517 144.0
[M]+ 201.02995 140.5
[M]- 201.03105 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.