CID 12681411

1-azido-4-(propan-2-yl)benzene

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

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

InChI

InChI=1S/C9H11N3/c1-7(2)8-3-5-9(6-4-8)11-12-10/h3-7H,1-2H3

InChIKey

CZCQLOBFXPPLNP-UHFFFAOYSA-N

Compound name

1-azido-4-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 161.09529 Da
Monoisotopic Mass: 4.0
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	133.5
[M+Na]+	184.08451	147.0
[M+NH4]+	179.12911	143.2
[M+K]+	200.05845	141.5
[M-H]-	160.08801	139.8
[M+Na-2H]-	182.06996	142.3
[M]+	161.09474	137.1
[M]-	161.09584	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe