CID 186456

88192-21-6

Structural Information

Molecular Formula

C₁₁H₁₀N₄O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN=[N+]=[N-]

InChI

InChI=1S/C11H10N4O2/c12-14-13-6-3-7-15-10(16)8-4-1-2-5-9(8)11(15)17/h1-2,4-5H,3,6-7H2

InChIKey

MMSQWAQECRXRGR-UHFFFAOYSA-N

Compound name

2-(3-azidopropyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 230.08037 Da
Monoisotopic Mass: 2.7
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]+	231.08765	148.3
[M+Na]+	253.06959	160.3
[M+NH4]+	248.11419	156.1
[M+K]+	269.04353	157.1
[M-H]-	229.07309	152.4
[M+Na-2H]-	251.05504	153.6
[M]+	230.07982	150.7
[M]-	230.08092	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe