CID 37326

Dtxsid601031882

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]+	208.108046	144.3
[M+Na]+	230.089988	150.9
[M-H]-	206.093494	152.3
[M+NH4]+	225.134593	164.3
[M+K]+	246.063928	152.3
[M+H-H2O]+	190.098030	136.5
[M+HCOO]-	252.098971	174.9
[M+CH3COO]-	266.114621	200.8
[M+Na-2H]-	228.075436	151.1
[M]+	207.10022142	148.4
[M]-	207.10131858	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe