CID 15868853

85871-89-2

Structural Information

Molecular Formula
C7H6N4O3
SMILES
C1=C(N=C2N=CNN2C1=O)CC(=O)O
InChI
InChI=1S/C7H6N4O3/c12-5-1-4(2-6(13)14)10-7-8-3-9-11(5)7/h1,3H,2H2,(H,13,14)(H,8,9,10)
InChIKey
WSOIHXUDLQDURX-UHFFFAOYSA-N
Compound name
2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

194.04399 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.051266 137.1
[M+Na]+ 217.033208 148.8
[M-H]- 193.036714 135.0
[M+NH4]+ 212.077813 152.8
[M+K]+ 233.007148 145.0
[M+H-H2O]+ 177.041250 129.5
[M+HCOO]- 239.042191 156.0
[M+CH3COO]- 253.057841 176.6
[M+Na-2H]- 215.018656 144.1
[M]+ 194.04344142 138.6
[M]- 194.04453858 138.6
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

patents stripe