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: 23
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]+	162.10257	133.0
[M+Na]+	184.08451	147.7
[M+NH4]+	179.12911	142.9
[M+K]+	200.05845	141.8
[M-H]-	160.08801	139.7
[M+Na-2H]-	182.06996	141.7
[M]+	161.09474	137.0
[M]-	161.09584	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe