CID 136237121

3-(4-hydroxyphenyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C13H13N3O3
SMILES
C1CC2=NN=C(N2CC1C(=O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C13H13N3O3/c17-10-4-1-8(2-5-10)12-15-14-11-6-3-9(13(18)19)7-16(11)12/h1-2,4-5,9,17H,3,6-7H2,(H,18,19)
InChIKey
VUUVKVBTCMENDS-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 158.1
[M+Na]+ 282.08492 169.9
[M+NH4]+ 277.12952 164.4
[M+K]+ 298.05886 167.0
[M-H]- 258.08842 158.8
[M+Na-2H]- 280.07037 162.7
[M]+ 259.09515 159.6
[M]- 259.09625 159.6
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

No patent data available for this compound.