CID 83815961

1547068-16-5

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

C1CCN2C(=C(N=N2)C(=O)O)C1

InChI

InChI=1S/C7H9N3O2/c11-7(12)6-5-3-1-2-4-10(5)9-8-6/h1-4H2,(H,11,12)

InChIKey

FUQSSGGDCNCVMP-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.06947 Da
Monoisotopic Mass: 0.3
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]+	168.076746	133.9
[M+Na]+	190.058688	141.9
[M-H]-	166.062194	132.9
[M+NH4]+	185.103293	152.3
[M+K]+	206.032628	140.0
[M+H-H2O]+	150.066730	126.4
[M+HCOO]-	212.067671	151.0
[M+CH3COO]-	226.083321	174.3
[M+Na-2H]-	188.044136	139.2
[M]+	167.06892142	131.4
[M]-	167.07001858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe