CID 82058929

1215938-81-0

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

CC(C)CC1=NN=C2N1C=CC=C2C(=O)O

InChI

InChI=1S/C11H13N3O2/c1-7(2)6-9-12-13-10-8(11(15)16)4-3-5-14(9)10/h3-5,7H,6H2,1-2H3,(H,15,16)

InChIKey

PZHCFDOFCRKALA-UHFFFAOYSA-N

Compound name

3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.10077 Da
Monoisotopic Mass: 2.3
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]+	220.108046	147.9
[M+Na]+	242.089988	157.8
[M-H]-	218.093494	147.9
[M+NH4]+	237.134593	164.7
[M+K]+	258.063928	154.8
[M+H-H2O]+	202.098030	140.3
[M+HCOO]-	264.098971	167.0
[M+CH3COO]-	278.114621	187.4
[M+Na-2H]-	240.075436	152.3
[M]+	219.10022142	150.9
[M]-	219.10131858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.