CID 75355753

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

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

CC(C1=NN=NN1C)N

InChI

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

InChIKey

KBKIWOOIWANUJL-UHFFFAOYSA-N

Compound name

1-(1-methyltetrazol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	134.9
[M+NH4]+	145.11961	131.0
[M+K]+	166.04895	133.0
[M-H]-	126.07851	123.5
[M+Na-2H]-	148.06046	129.4
[M]+	127.08524	125.3
[M]-	127.08634	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.