CID 22110104

2-{3-oxo-2h,3h-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid

Structural Information

Molecular Formula
C8H7N3O3
SMILES
C1=CC2=NN(C(=O)N2C=C1)CC(=O)O
InChI
InChI=1S/C8H7N3O3/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11/h1-4H,5H2,(H,12,13)
InChIKey
XJKVVRVSPXRKSC-UHFFFAOYSA-N
Compound name
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05602 135.9
[M+Na]+ 216.03796 147.7
[M-H]- 192.04146 136.4
[M+NH4]+ 211.08256 153.8
[M+K]+ 232.01190 144.7
[M+H-H2O]+ 176.04600 128.7
[M+HCOO]- 238.04694 157.5
[M+CH3COO]- 252.06259 178.9
[M+Na-2H]- 214.02341 143.1
[M]+ 193.04819 139.2
[M]- 193.04929 139.2
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