CID 34487

29168-87-4

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

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

InChI

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

InChIKey

QBIUIDQLFKGAPD-UHFFFAOYSA-N

Compound name

methyl 4-(dimethylaminodiazenyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: 3.2
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	144.3
[M+Na]+	230.08999	150.9
[M-H]-	206.09349	152.3
[M+NH4]+	225.13459	164.3
[M+K]+	246.06393	152.3
[M+H-H2O]+	190.09803	136.5
[M+HCOO]-	252.09897	174.9
[M+CH3COO]-	266.11462	200.8
[M+Na-2H]-	228.07544	151.1
[M]+	207.10022	148.4
[M]-	207.10132	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe