CID 12037654

706757-05-3

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1CNCC2=NNN=C21

InChI

InChI=1S/C5H8N4/c1-2-6-3-5-4(1)7-9-8-5/h6H,1-3H2,(H,7,8,9)

InChIKey

GIIMNWTYRGWBNQ-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 124.0749 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]+	125.08218	125.1
[M+Na]+	147.06412	132.9
[M-H]-	123.06762	121.1
[M+NH4]+	142.10872	143.1
[M+K]+	163.03806	129.7
[M+H-H2O]+	107.07216	117.1
[M+HCOO]-	169.07310	140.5
[M+CH3COO]-	183.08875	136.6
[M+Na-2H]-	145.04957	132.6
[M]+	124.07435	118.7
[M]-	124.07545	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe