CID 3042437

Brn 5061433

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₃

SMILES

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

InChI

InChI=1S/C11H14N4O3/c1-15(2)14-13-9-5-3-8(4-6-9)11(18)12-7-10(16)17/h3-6H,7H2,1-2H3,(H,12,18)(H,16,17)

InChIKey

LHUFEWDNMPLOTL-UHFFFAOYSA-N

Compound name

2-[[4-(dimethylaminodiazenyl)benzoyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.1066 Da
Monoisotopic Mass: 0.5
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]+	251.113876	154.9
[M+Na]+	273.095818	159.6
[M-H]-	249.099324	161.2
[M+NH4]+	268.140423	171.7
[M+K]+	289.069758	160.5
[M+H-H2O]+	233.103860	146.5
[M+HCOO]-	295.104801	184.0
[M+CH3COO]-	309.120451	208.7
[M+Na-2H]-	271.081266	159.8
[M]+	250.10605142	156.6
[M]-	250.10714858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.