CID 3955936

Bis(1h-tetrazolyl)amine ammonium salt

Structural Information

Molecular Formula

C₂H₃N₉

SMILES

C1(=NNN=N1)NC2=NNN=N2

InChI

InChI=1S/C2H3N9/c3(1-4-8-9-5-1)2-6-10-11-7-2/h(H3,3,4,5,6,7,8,9,10,11)

InChIKey

RVXHYSAOMMVOCQ-UHFFFAOYSA-N

Compound name

N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 85
Patents: 153.05115 Da
Monoisotopic Mass: -0.8
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]+	154.05843	123.7
[M+Na]+	176.04037	134.5
[M+NH4]+	171.08497	127.6
[M+K]+	192.01431	135.8
[M-H]-	152.04387	120.9
[M+Na-2H]-	174.02582	130.8
[M]+	153.05060	123.8
[M]-	153.05170	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe