CID 50988513

Methyl[1-(1h-1,2,3,4-tetrazol-5-yl)ethyl]amine hydrochloride

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

CC(C1=NNN=N1)NC

InChI

InChI=1S/C4H9N5/c1-3(5-2)4-6-8-9-7-4/h3,5H,1-2H3,(H,6,7,8,9)

InChIKey

JKGYVGXVRUYART-UHFFFAOYSA-N

Compound name

N-methyl-1-(2H-tetrazol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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]+	128.093066	125.9
[M+Na]+	150.075008	133.9
[M-H]-	126.078514	123.1
[M+NH4]+	145.119613	143.3
[M+K]+	166.048948	132.6
[M+H-H2O]+	110.083050	117.4
[M+HCOO]-	172.083991	146.0
[M+CH3COO]-	186.099641	170.7
[M+Na-2H]-	148.060456	132.9
[M]+	127.08524142	123.5
[M]-	127.08633858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe