CID 88309

19920-34-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

CC1=C(NC(=O)N1)C(=O)CCCCC(=O)O

InChI

InChI=1S/C10H14N2O4/c1-6-9(12-10(16)11-6)7(13)4-2-3-5-8(14)15/h2-5H2,1H3,(H,14,15)(H2,11,12,16)

InChIKey

QOKBZTDZIZMTMS-UHFFFAOYSA-N

Compound name

6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 16
Patents: 226.09535 Da
Monoisotopic Mass: -0.4
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]+	227.102626	149.6
[M+Na]+	249.084568	157.0
[M-H]-	225.088074	146.7
[M+NH4]+	244.129173	164.7
[M+K]+	265.058508	153.5
[M+H-H2O]+	209.092610	143.1
[M+HCOO]-	271.093551	166.8
[M+CH3COO]-	285.109201	182.1
[M+Na-2H]-	247.070016	149.6
[M]+	226.09480142	149.0
[M]-	226.09589858	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe