CID 105474

67599-15-9

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₃

SMILES

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

InChI

InChI=1S/C11H15N3O3/c1-8-4-5-10(17-3)9(6-8)12-13-14(2)7-11(15)16/h4-6H,7H2,1-3H3,(H,15,16)

InChIKey

BTQDBKVRXMNEGN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 237.11134 Da
Monoisotopic Mass: 2.5
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]+	238.118616	151.5
[M+Na]+	260.100558	158.0
[M-H]-	236.104064	158.2
[M+NH4]+	255.145163	169.8
[M+K]+	276.074498	158.8
[M+H-H2O]+	220.108600	143.7
[M+HCOO]-	282.109541	180.5
[M+CH3COO]-	296.125191	205.3
[M+Na-2H]-	258.086006	156.7
[M]+	237.11079142	155.9
[M]-	237.11188858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe