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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.102976	157.5
[M+Na]+	282.084918	165.4
[M-H]-	258.088424	158.8
[M+NH4]+	277.129523	171.5
[M+K]+	298.058858	161.0
[M+H-H2O]+	242.092960	149.0
[M+HCOO]-	304.093901	172.7
[M+CH3COO]-	318.109551	167.9
[M+Na-2H]-	280.070366	160.3
[M]+	259.09515142	155.0
[M]-	259.09624858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.