CID 3041345

N-phenyl-1h-tetrazole-5-ethanamine

Structural Information

Molecular Formula

C₉H₁₁N₅

SMILES

C1=CC=C(C=C1)NCCC2=NNN=N2

InChI

InChI=1S/C9H11N5/c1-2-4-8(5-3-1)10-7-6-9-11-13-14-12-9/h1-5,10H,6-7H2,(H,11,12,13,14)

InChIKey

RCUUDHDCFPYQSW-UHFFFAOYSA-N

Compound name

N-[2-(2H-tetrazol-5-yl)ethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 189.10144 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]+	190.10872	139.1
[M+Na]+	212.09066	146.6
[M-H]-	188.09416	139.1
[M+NH4]+	207.13526	153.6
[M+K]+	228.06460	142.5
[M+H-H2O]+	172.09870	129.1
[M+HCOO]-	234.09964	160.1
[M+CH3COO]-	248.11529	150.5
[M+Na-2H]-	210.07611	147.4
[M]+	189.10089	136.7
[M]-	189.10199	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe