CID 66188209

2375262-06-7

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1C(CN1)N2C=NN=C2

InChI

InChI=1S/C5H8N4/c1-5(2-6-1)9-3-7-8-4-9/h3-6H,1-2H2

InChIKey

DWZJWIDNFQMBAS-UHFFFAOYSA-N

Compound name

4-(azetidin-3-yl)-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 124.0749 Da
Monoisotopic Mass: -1.3
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	121.3
[M+Na]+	147.064118	128.3
[M-H]-	123.067624	121.1
[M+NH4]+	142.108723	132.6
[M+K]+	163.038058	129.4
[M+H-H2O]+	107.072160	107.8
[M+HCOO]-	169.073101	139.4
[M+CH3COO]-	183.088751	170.1
[M+Na-2H]-	145.049566	128.0
[M]+	124.07435142	126.4
[M]-	124.07544858	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe