CID 6497232

883550-13-8

Structural Information

Molecular Formula
C10H12N4O3
SMILES
CC1=C(C(=O)N2C(=N1)N=C(N2)C)CCC(=O)O
InChI
InChI=1S/C10H12N4O3/c1-5-7(3-4-8(15)16)9(17)14-10(11-5)12-6(2)13-14/h3-4H2,1-2H3,(H,15,16)(H,11,12,13)
InChIKey
LMFJKBXQEDYGOZ-UHFFFAOYSA-N
Compound name
3-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.09094 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 151.9
[M+Na]+ 259.08016 164.2
[M+NH4]+ 254.12476 156.4
[M+K]+ 275.05410 162.2
[M-H]- 235.08366 149.3
[M+Na-2H]- 257.06561 154.7
[M]+ 236.09039 152.5
[M]- 236.09149 152.5
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

No patent data available for this compound.