CID 135439381

220459-24-5

Structural Information

Molecular Formula
C6H8N4O3
SMILES
C(CC(=O)O)C1=NN=C(NC1=O)N
InChI
InChI=1S/C6H8N4O3/c7-6-8-5(13)3(9-10-6)1-2-4(11)12/h1-2H2,(H,11,12)(H3,7,8,10,13)
InChIKey
FUPLOPZRMXCXPC-UHFFFAOYSA-N
Compound name
3-(3-amino-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

184.05965 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06693 137.3
[M+Na]+ 207.04887 146.3
[M-H]- 183.05237 134.5
[M+NH4]+ 202.09347 151.2
[M+K]+ 223.02281 143.1
[M+H-H2O]+ 167.05691 129.7
[M+HCOO]- 229.05785 156.2
[M+CH3COO]- 243.07350 177.8
[M+Na-2H]- 205.03432 142.7
[M]+ 184.05910 135.1
[M]- 184.06020 135.1
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.