CID 11299037

N-(4-chlorophenyl)-n-(2-methyl-2h-tetrazol-5-ylmethyl)amine

Structural Information

Molecular Formula

C₉H₁₀ClN₅

SMILES

CN1N=C(N=N1)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C9H10ClN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3

InChIKey

MTKWOUZCLHJPDW-UHFFFAOYSA-N

Compound name

4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 223.06247 Da
Monoisotopic Mass: 2.3
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]+	224.06975	145.9
[M+Na]+	246.05169	160.1
[M+NH4]+	241.09629	153.4
[M+K]+	262.02563	154.9
[M-H]-	222.05519	148.1
[M+Na-2H]-	244.03714	154.5
[M]+	223.06192	148.7
[M]-	223.06302	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe