CID 220622

1-propyl-1h-tetrazol-5-amine

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

CCCN1C(=NN=N1)N

InChI

InChI=1S/C4H9N5/c1-2-3-9-4(5)6-7-8-9/h2-3H2,1H3,(H2,5,6,8)

InChIKey

RUCUYFVAKOESSN-UHFFFAOYSA-N

Compound name

1-propyltetrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 74
Patents: 127.08579 Da
Monoisotopic Mass: 0.0
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]+	128.09307	124.3
[M+Na]+	150.07501	135.0
[M+NH4]+	145.11961	130.9
[M+K]+	166.04895	132.4
[M-H]-	126.07851	123.5
[M+Na-2H]-	148.06046	129.6
[M]+	127.08524	125.2
[M]-	127.08634	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe