CID 194013

273400-20-7

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

C(CC1=NNN=N1)CN

InChI

InChI=1S/C4H9N5/c5-3-1-2-4-6-8-9-7-4/h1-3,5H2,(H,6,7,8,9)

InChIKey

GKWCKCHEKRDLOB-UHFFFAOYSA-N

Compound name

3-(2H-tetrazol-5-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 86
Patents: 127.08579 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]+	128.09307	124.4
[M+Na]+	150.07501	134.2
[M+NH4]+	145.11961	130.6
[M+K]+	166.04895	131.7
[M-H]-	126.07851	123.0
[M+Na-2H]-	148.06046	129.4
[M]+	127.08524	124.9
[M]-	127.08634	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe