CID 37326

35972-50-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CN(C)N=NC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C10H13N3O2/c1-13(2)12-11-9-6-4-5-8(7-9)10(14)15-3/h4-7H,1-3H3

InChIKey

VIHRSKPFPROVEQ-UHFFFAOYSA-N

Compound name

methyl 3-(dimethylaminodiazenyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 207.10077 Da
Monoisotopic Mass: 3.1
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]+	208.10805	145.6
[M+Na]+	230.08999	155.9
[M+NH4]+	225.13459	153.2
[M+K]+	246.06393	150.6
[M-H]-	206.09349	149.3
[M+Na-2H]-	228.07544	152.8
[M]+	207.10022	147.8
[M]-	207.10132	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe