CID 258953

2-amino-3-(pyridazin-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1=CN=NC=C1CC(C(=O)O)N
InChI
InChI=1S/C7H9N3O2/c8-6(7(11)12)3-5-1-2-9-10-4-5/h1-2,4,6H,3,8H2,(H,11,12)
InChIKey
IOIQFYKCCUDSQT-UHFFFAOYSA-N
Compound name
2-amino-3-pyridazin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

167.06947 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 134.3
[M+Na]+ 190.05869 141.0
[M-H]- 166.06219 133.5
[M+NH4]+ 185.10329 150.5
[M+K]+ 206.03263 139.3
[M+H-H2O]+ 150.06673 126.9
[M+HCOO]- 212.06767 154.5
[M+CH3COO]- 226.08332 177.2
[M+Na-2H]- 188.04414 140.1
[M]+ 167.06892 131.8
[M]- 167.07002 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe