CID 706640

2-(7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid

Structural Information

Molecular Formula
C8H8N4O3
SMILES
CC1=CC(=O)N2C(=N1)N=C(N2)CC(=O)O
InChI
InChI=1S/C8H8N4O3/c1-4-2-6(13)12-8(9-4)10-5(11-12)3-7(14)15/h2H,3H2,1H3,(H,14,15)(H,9,10,11)
InChIKey
CGAFFDYYFREHLJ-UHFFFAOYSA-N
Compound name
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

208.05965 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06693 142.0
[M+Na]+ 231.04887 154.2
[M-H]- 207.05237 140.2
[M+NH4]+ 226.09347 157.5
[M+K]+ 247.02281 150.2
[M+H-H2O]+ 191.05691 134.6
[M+HCOO]- 253.05785 160.6
[M+CH3COO]- 267.07350 180.8
[M+Na-2H]- 229.03432 147.8
[M]+ 208.05910 144.3
[M]- 208.06020 144.3
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