CID 566608

1-(1h-1,2,3,4-tetrazol-5-yl)propan-1-amine

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

CCC(C1=NNN=N1)N

InChI

InChI=1S/C4H9N5/c1-2-3(5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)

InChIKey

DOFDXNNXHHZWCT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 127.08579 Da
Monoisotopic Mass: -0.7
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	124.6
[M+Na]+	150.07501	134.0
[M+NH4]+	145.11961	130.7
[M+K]+	166.04895	132.3
[M-H]-	126.07851	123.0
[M+Na-2H]-	148.06046	129.2
[M]+	127.08524	125.0
[M]-	127.08634	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe