CID 22639490

1201937-23-6

Structural Information

Molecular Formula

C₃H₇N₅

SMILES

C1=NN=NN1CCN

InChI

InChI=1S/C3H7N5/c4-1-2-8-3-5-6-7-8/h3H,1-2,4H2

InChIKey

ZGHVPBISEIPFJS-UHFFFAOYSA-N

Compound name

2-(tetrazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 113.070145 Da
Monoisotopic Mass: -1.4
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]+	114.077421	120.1
[M+Na]+	136.059363	129.2
[M-H]-	112.062869	118.1
[M+NH4]+	131.103968	138.6
[M+K]+	152.033303	128.3
[M+H-H2O]+	96.067405	111.5
[M+HCOO]-	158.068346	142.4
[M+CH3COO]-	172.083996	168.8
[M+Na-2H]-	134.044811	128.3
[M]+	113.06959642	118.8
[M]-	113.07069358	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe