CID 54593385

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

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

CC1=NN=NN1CCN

InChI

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

InChIKey

KKBKDJXIELANNO-UHFFFAOYSA-N

Compound name

2-(5-methyltetrazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 127.08579 Da
Monoisotopic Mass: -1.0
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]+	128.093066	125.1
[M+Na]+	150.075008	134.8
[M-H]-	126.078514	123.4
[M+NH4]+	145.119613	143.4
[M+K]+	166.048948	133.6
[M+H-H2O]+	110.083050	116.7
[M+HCOO]-	172.083991	147.1
[M+CH3COO]-	186.099641	172.9
[M+Na-2H]-	148.060456	132.0
[M]+	127.08524142	124.6
[M]-	127.08633858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe