CID 20577387

Methyl(1h-1,2,3,4-tetrazol-5-ylmethyl)amine

Structural Information

Molecular Formula

C₃H₇N₅

SMILES

CNCC1=NNN=N1

InChI

InChI=1S/C3H7N5/c1-4-2-3-5-7-8-6-3/h4H,2H2,1H3,(H,5,6,7,8)

InChIKey

VRVRXSMTHQDPMY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 113.070145 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]+	114.07742	120.2
[M+Na]+	136.05936	130.4
[M+NH4]+	131.10397	126.7
[M+K]+	152.03330	127.9
[M-H]-	112.06287	118.9
[M+Na-2H]-	134.04481	125.8
[M]+	113.06960	120.8
[M]-	113.07069	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe