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]+ 170.056016 132.7
[M+Na]+ 192.037958 141.6
[M-H]- 168.041464 129.9
[M+NH4]+ 187.082563 147.5
[M+K]+ 208.011898 138.9
[M+H-H2O]+ 152.046000 125.3
[M+HCOO]- 214.046941 151.2
[M+CH3COO]- 228.062591 171.9
[M+Na-2H]- 190.023406 139.5
[M]+ 169.04819142 131.9
[M]- 169.04928858 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.