CID 19005993

1-(azetidin-3-yl)-1h-1,2,3-triazole dihydrochloride

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1C(CN1)N2C=CN=N2

InChI

InChI=1S/C5H8N4/c1-2-9(8-7-1)5-3-6-4-5/h1-2,5-6H,3-4H2

InChIKey

NCACHQJLGMVJNS-UHFFFAOYSA-N

Compound name

1-(azetidin-3-yl)triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 124.0749 Da
Monoisotopic Mass: -1.0
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	120.9
[M+Na]+	147.06412	127.8
[M+NH4]+	142.10872	124.4
[M+K]+	163.03806	126.7
[M-H]-	123.06762	118.3
[M+Na-2H]-	145.04957	125.2
[M]+	124.07435	119.6
[M]-	124.07545	119.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe