CID 16228907

123291-54-3

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1CN2C(=CN=N2)CN1

InChI

InChI=1S/C5H8N4/c1-2-9-5(3-6-1)4-7-8-9/h4,6H,1-3H2

InChIKey

RMXGROKBRJVWRN-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 124.0749 Da
Monoisotopic Mass: -1.2
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]+	125.082176	124.5
[M+Na]+	147.064118	132.6
[M-H]-	123.067624	121.8
[M+NH4]+	142.108723	143.1
[M+K]+	163.038058	130.3
[M+H-H2O]+	107.072160	116.1
[M+HCOO]-	169.073101	141.3
[M+CH3COO]-	183.088751	136.6
[M+Na-2H]-	145.049566	132.4
[M]+	124.07435142	119.8
[M]-	124.07544858	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe