CID 21843637

2193061-30-0

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

C1=NN=NN1CCCN

InChI

InChI=1S/C4H9N5/c5-2-1-3-9-4-6-7-8-9/h4H,1-3,5H2

InChIKey

UGYXACYDHGNSFL-UHFFFAOYSA-N

Compound name

3-(tetrazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 127.08579 Da
Monoisotopic Mass: -1.1
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	124.5
[M+Na]+	150.07501	133.2
[M-H]-	126.07851	122.3
[M+NH4]+	145.11961	142.4
[M+K]+	166.04895	132.0
[M+H-H2O]+	110.08305	115.7
[M+HCOO]-	172.08399	146.5
[M+CH3COO]-	186.09964	171.8
[M+Na-2H]-	148.06046	132.2
[M]+	127.08524	123.6
[M]-	127.08634	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe