CID 79002233

Lithium(1+) ion 2-{5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-3-yl}acetate

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1CCN2C(=NN=C2CC(=O)O)C1
InChI
InChI=1S/C8H11N3O2/c12-8(13)5-7-10-9-6-3-1-2-4-11(6)7/h1-5H2,(H,12,13)
InChIKey
SBZJVMFAELJFTG-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 138.4
[M+Na]+ 204.074348 146.0
[M-H]- 180.077854 137.3
[M+NH4]+ 199.118953 156.2
[M+K]+ 220.048288 143.9
[M+H-H2O]+ 164.082390 130.8
[M+HCOO]- 226.083331 155.2
[M+CH3COO]- 240.098981 177.3
[M+Na-2H]- 202.059796 143.2
[M]+ 181.08458142 136.3
[M]- 181.08567858 136.3
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.