CID 16228496

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

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
C1=CC(=NN=C1NCC(=O)O)Cl
InChI
InChI=1S/C6H6ClN3O2/c7-4-1-2-5(10-9-4)8-3-6(11)12/h1-2H,3H2,(H,8,10)(H,11,12)
InChIKey
WBBXOKRECPFAGF-UHFFFAOYSA-N
Compound name
2-[(6-chloropyridazin-3-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.01485 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.022126 133.8
[M+Na]+ 210.004068 142.8
[M-H]- 186.007574 133.7
[M+NH4]+ 205.048673 150.7
[M+K]+ 225.978008 139.4
[M+H-H2O]+ 170.012110 127.4
[M+HCOO]- 232.013051 151.4
[M+CH3COO]- 246.028701 178.9
[M+Na-2H]- 207.989516 141.3
[M]+ 187.01430142 134.8
[M]- 187.01539858 134.8
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.