CID 67291

136-28-7

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃O₂

SMILES

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

InChI

InChI=1S/C10H12ClN3O2/c1-7-3-4-8(11)5-9(7)12-13-14(2)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)

InChIKey

OKZLBAQJYTZVCX-UHFFFAOYSA-N

Compound name

2-[[(5-chloro-2-methylphenyl)diazenyl]-methylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 19
Patents: 241.0618 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]+	242.069076	151.8
[M+Na]+	264.051018	159.7
[M-H]-	240.054524	158.5
[M+NH4]+	259.095623	170.9
[M+K]+	280.024958	158.1
[M+H-H2O]+	224.059060	145.4
[M+HCOO]-	286.060001	176.4
[M+CH3COO]-	300.075651	203.8
[M+Na-2H]-	262.036466	156.8
[M]+	241.06125142	156.6
[M]-	241.06234858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe