CID 54238328

5-(pyrrolidin-3-yl)-1h-1,2,3-triazole

Structural Information

Molecular Formula

C₆H₁₀N₄

SMILES

C1CNCC1C2=NNN=C2

InChI

InChI=1S/C6H10N4/c1-2-7-3-5(1)6-4-8-10-9-6/h4-5,7H,1-3H2,(H,8,9,10)

InChIKey

QOEJYIBQPHBARE-UHFFFAOYSA-N

Compound name

4-pyrrolidin-3-yl-2H-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 138.09055 Da
Monoisotopic Mass: -0.6
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]+	139.09783	129.0
[M+Na]+	161.07977	135.9
[M-H]-	137.08327	127.5
[M+NH4]+	156.12437	146.8
[M+K]+	177.05371	133.3
[M+H-H2O]+	121.08781	120.0
[M+HCOO]-	183.08875	146.3
[M+CH3COO]-	197.10440	140.5
[M+Na-2H]-	159.06522	132.5
[M]+	138.09000	122.3
[M]-	138.09110	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe