CID 566622

1-(2h-tetrazol-5-yl)ethanamine

Structural Information

Molecular Formula

C₃H₇N₅

SMILES

CC(C1=NNN=N1)N

InChI

InChI=1S/C3H7N5/c1-2(4)3-5-7-8-6-3/h2H,4H2,1H3,(H,5,6,7,8)

InChIKey

NDMDHZMRQFSFOZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 113.070145 Da
Monoisotopic Mass: -1.2
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	120.3
[M+Na]+	136.05936	129.9
[M+NH4]+	131.10397	126.5
[M+K]+	152.03330	128.4
[M-H]-	112.06287	118.7
[M+Na-2H]-	134.04481	125.1
[M]+	113.06960	120.7
[M]-	113.07069	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe