CID 66896

51955-67-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CC1=CC=C(C=C1)N=NN(C)CC(=O)O

InChI

InChI=1S/C10H13N3O2/c1-8-3-5-9(6-4-8)11-12-13(2)7-10(14)15/h3-6H,7H2,1-2H3,(H,14,15)

InChIKey

KOTDNLISXGEHNY-UHFFFAOYSA-N

Compound name

2-[methyl-[(4-methylphenyl)diazenyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 207.10077 Da
Monoisotopic Mass: 2.6
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	144.4
[M+Na]+	230.08999	150.5
[M-H]-	206.09349	150.9
[M+NH4]+	225.13459	163.6
[M+K]+	246.06393	151.0
[M+H-H2O]+	190.09803	136.8
[M+HCOO]-	252.09897	173.5
[M+CH3COO]-	266.11462	198.9
[M+Na-2H]-	228.07544	150.7
[M]+	207.10022	146.6
[M]-	207.10132	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe