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: 4
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]+	128.093066	125.7
[M+Na]+	150.075008	135.2
[M-H]-	126.078514	124.2
[M+NH4]+	145.119613	143.9
[M+K]+	166.048948	134.3
[M+H-H2O]+	110.083050	117.4
[M+HCOO]-	172.083991	146.8
[M+CH3COO]-	186.099641	173.8
[M+Na-2H]-	148.060456	131.4
[M]+	127.08524142	124.6
[M]-	127.08633858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe