CID 566622

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

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: 104
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	121.6
[M+Na]+	136.05936	130.1
[M-H]-	112.06287	118.5
[M+NH4]+	131.10397	139.4
[M+K]+	152.03330	128.7
[M+H-H2O]+	96.067405	113.4
[M+HCOO]-	158.06835	141.5
[M+CH3COO]-	172.08400	167.1
[M+Na-2H]-	134.04481	128.1
[M]+	113.06960	117.9
[M]-	113.07069	117.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe