CID 22181536

1228583-52-5

Structural Information

Molecular Formula

C₅H₉N₅

SMILES

C1CNCC1C2=NNN=N2

InChI

InChI=1S/C5H9N5/c1-2-6-3-4(1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)

InChIKey

VYQMPDFYNWSLGY-UHFFFAOYSA-N

Compound name

5-pyrrolidin-3-yl-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 139.0858 Da
Monoisotopic Mass: -0.7
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]+	140.09308	129.0
[M+Na]+	162.07502	136.4
[M-H]-	138.07852	126.4
[M+NH4]+	157.11962	145.4
[M+K]+	178.04896	133.9
[M+H-H2O]+	122.08306	119.3
[M+HCOO]-	184.08400	145.3
[M+CH3COO]-	198.09965	140.1
[M+Na-2H]-	160.06047	132.8
[M]+	139.08525	122.6
[M]-	139.08635	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe