CID 135903517

3-(5-hydroxy-1,2,4-triazin-6-yl)propanoic acid

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1=NN=C(C(=O)N1)CCC(=O)O
InChI
InChI=1S/C6H7N3O3/c10-5(11)2-1-4-6(12)7-3-8-9-4/h3H,1-2H2,(H,10,11)(H,7,8,12)
InChIKey
HYMJRKJOHVCONX-UHFFFAOYSA-N
Compound name
3-(5-oxo-4H-1,2,4-triazin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04874 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 132.7
[M+Na]+ 192.03796 141.6
[M-H]- 168.04146 129.9
[M+NH4]+ 187.08256 147.5
[M+K]+ 208.01190 138.9
[M+H-H2O]+ 152.04600 125.3
[M+HCOO]- 214.04694 151.2
[M+CH3COO]- 228.06259 171.9
[M+Na-2H]- 190.02341 139.5
[M]+ 169.04819 131.9
[M]- 169.04929 131.9
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.