CID 15228837

1955557-41-1

Structural Information

Molecular Formula

C₆H₁₀N₄

SMILES

C1CNCC1N2C=CN=N2

InChI

InChI=1S/C6H10N4/c1-2-7-5-6(1)10-4-3-8-9-10/h3-4,6-7H,1-2,5H2

InChIKey

WKTIBPHCHGGVEN-UHFFFAOYSA-N

Compound name

1-pyrrolidin-3-yltriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
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	128.9
[M+Na]+	161.07977	139.0
[M+NH4]+	156.12437	136.3
[M+K]+	177.05371	137.6
[M-H]-	137.08327	129.0
[M+Na-2H]-	159.06522	134.7
[M]+	138.09000	129.9
[M]-	138.09110	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe