CID 167030

2,4,6-trimethylphenylazide

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CC1=CC(=C(C(=C1)C)N=[N+]=[N-])C

InChI

InChI=1S/C9H11N3/c1-6-4-7(2)9(11-12-10)8(3)5-6/h4-5H,1-3H3

InChIKey

YNOHHRQEKATAMQ-UHFFFAOYSA-N

Compound name

2-azido-1,3,5-trimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 25
Patents: 161.09529 Da
Monoisotopic Mass: 3.9
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]+	162.102566	131.7
[M+Na]+	184.084508	140.7
[M-H]-	160.088014	138.9
[M+NH4]+	179.129113	153.5
[M+K]+	200.058448	134.7
[M+H-H2O]+	144.092550	130.2
[M+HCOO]-	206.093491	163.1
[M+CH3COO]-	220.109141	184.8
[M+Na-2H]-	182.069956	141.2
[M]+	161.09474142	130.9
[M]-	161.09583858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe