CID 25248712

1018170-77-8

Structural Information

Molecular Formula
C8H8N4O2
SMILES
C1=CN2C(=NC(=N2)CCC(=O)O)N=C1
InChI
InChI=1S/C8H8N4O2/c13-7(14)3-2-6-10-8-9-4-1-5-12(8)11-6/h1,4-5H,2-3H2,(H,13,14)
InChIKey
TXQZVOROAGZEIO-UHFFFAOYSA-N
Compound name
3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.072006 138.5
[M+Na]+ 215.053948 149.1
[M-H]- 191.057454 137.1
[M+NH4]+ 210.098553 154.7
[M+K]+ 231.027888 146.1
[M+H-H2O]+ 175.061990 130.1
[M+HCOO]- 237.062931 158.2
[M+CH3COO]- 251.078581 179.4
[M+Na-2H]- 213.039396 146.2
[M]+ 192.06418142 141.1
[M]- 192.06527858 141.1
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.