CID 52363637

1338375-74-8

Structural Information

Molecular Formula

C₁₀H₁₁N₅

SMILES

C1CN2C(=NN=C2C3=CC=CC=N3)CN1

InChI

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

InChIKey

WAFBITWNSGXAJU-UHFFFAOYSA-N

Compound name

3-pyridin-2-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: 40
Patents: 201.10144 Da
Monoisotopic Mass: -0.8
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	144.9
[M+Na]+	224.09066	153.2
[M-H]-	200.09416	144.1
[M+NH4]+	219.13526	158.8
[M+K]+	240.06460	148.2
[M+H-H2O]+	184.09870	134.3
[M+HCOO]-	246.09964	160.0
[M+CH3COO]-	260.11529	155.4
[M+Na-2H]-	222.07611	151.6
[M]+	201.10089	140.4
[M]-	201.10199	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe