CID 18542450

3-(pyrrolidin-2-yl)-4h-1,2,4-triazole dihydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₄

SMILES

C1CC(NC1)C2=NC=NN2

InChI

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

InChIKey

IDGHNUZUCVZTLK-UHFFFAOYSA-N

Compound name

5-pyrrolidin-2-yl-1H-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 138.09055 Da
Monoisotopic Mass: -0.1
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]+	139.097826	129.0
[M+Na]+	161.079768	135.9
[M-H]-	137.083274	127.5
[M+NH4]+	156.124373	146.8
[M+K]+	177.053708	133.3
[M+H-H2O]+	121.087810	120.0
[M+HCOO]-	183.088751	146.3
[M+CH3COO]-	197.104401	140.5
[M+Na-2H]-	159.065216	132.5
[M]+	138.09000142	122.3
[M]-	138.09109858	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe