CID 84649792

2138272-00-9

Structural Information

Molecular Formula

C₆H₁₁N₅

SMILES

C1CNCC1CC2=NNN=N2

InChI

InChI=1S/C6H11N5/c1-2-7-4-5(1)3-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)

InChIKey

WWARKOXYFCMWRR-UHFFFAOYSA-N

Compound name

5-(pyrrolidin-3-ylmethyl)-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.10144 Da
Monoisotopic Mass: -0.3
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]+	154.10872	133.0
[M+Na]+	176.09066	142.4
[M+NH4]+	171.13526	139.2
[M+K]+	192.06460	141.6
[M-H]-	152.09416	131.8
[M+Na-2H]-	174.07611	137.8
[M]+	153.10089	133.5
[M]-	153.10199	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.