CID 25219067

1035841-07-6

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

C1CC2=NN=CN2CC1C(=O)O

InChI

InChI=1S/C7H9N3O2/c11-7(12)5-1-2-6-9-8-4-10(6)3-5/h4-5H,1-3H2,(H,11,12)

InChIKey

XGJLPEDJGWACIX-UHFFFAOYSA-N

Compound name

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: 10
Patents: 167.06947 Da
Monoisotopic Mass: -0.7
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]+	168.07675	134.4
[M+Na]+	190.05869	144.7
[M+NH4]+	185.10329	141.3
[M+K]+	206.03263	142.3
[M-H]-	166.06219	133.1
[M+Na-2H]-	188.04414	137.7
[M]+	167.06892	135.0
[M]-	167.07002	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe