CID 3065787

2h-tetrazole-2-ethanamine, n,n-diethyl-5-phenyl-, monohydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉N₅

SMILES

CCN(CC)CCN1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H19N5/c1-3-17(4-2)10-11-18-15-13(14-16-18)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

InChIKey

BYQZCSZODZRQMT-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(5-phenyltetrazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.16405 Da
Monoisotopic Mass: 2.5
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]+	246.171326	157.6
[M+Na]+	268.153268	164.8
[M-H]-	244.156774	160.1
[M+NH4]+	263.197873	171.5
[M+K]+	284.127208	161.9
[M+H-H2O]+	228.161310	146.6
[M+HCOO]-	290.162251	179.2
[M+CH3COO]-	304.177901	199.3
[M+Na-2H]-	266.138716	162.6
[M]+	245.16350142	160.0
[M]-	245.16459858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe