CID 13123955

84968-84-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₄

SMILES

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

InChI

InChI=1S/C10H10N2O4/c1-7(13)8-2-4-9(5-3-8)12(11-16)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)

InChIKey

RWORSMWSYZMIKJ-UHFFFAOYSA-N

Compound name

2-(4-acetyl-N-nitrosoanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 222.06406 Da
Monoisotopic Mass: 1.0
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]+	223.071336	144.8
[M+Na]+	245.053278	151.1
[M-H]-	221.056784	150.0
[M+NH4]+	240.097883	162.6
[M+K]+	261.027218	151.7
[M+H-H2O]+	205.061320	137.7
[M+HCOO]-	267.062261	171.0
[M+CH3COO]-	281.077911	196.3
[M+Na-2H]-	243.038726	149.2
[M]+	222.06351142	147.5
[M]-	222.06460858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe