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]+ 188.02213 133.8
[M+Na]+ 210.00407 142.8
[M-H]- 186.00757 133.7
[M+NH4]+ 205.04867 150.7
[M+K]+ 225.97801 139.4
[M+H-H2O]+ 170.01211 127.4
[M+HCOO]- 232.01305 151.4
[M+CH3COO]- 246.02870 178.9
[M+Na-2H]- 207.98952 141.3
[M]+ 187.01430 134.8
[M]- 187.01540 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.