CID 62587692

945262-29-3

Structural Information

Molecular Formula

C₁₀H₁₁N₅

SMILES

C1CN2C(=NN=C2C3=CC=NC=C3)CN1

InChI

InChI=1S/C10H11N5/c1-3-11-4-2-8(1)10-14-13-9-7-12-5-6-15(9)10/h1-4,12H,5-7H2

InChIKey

GNZXCVATTPQTRU-UHFFFAOYSA-N

Compound name

3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 201.10144 Da
Monoisotopic Mass: -0.9
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]+	202.10872	144.5
[M+Na]+	224.09066	158.0
[M+NH4]+	219.13526	152.0
[M+K]+	240.06460	153.2
[M-H]-	200.09416	145.7
[M+Na-2H]-	222.07611	151.7
[M]+	201.10089	146.5
[M]-	201.10199	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe