CID 573683

6-maleimidocaproic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

C1=CC(=O)N(C1=O)CCCCCC(=O)O

InChI

InChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h5-6H,1-4,7H2,(H,14,15)

InChIKey

WOJKKJKETHYEAC-UHFFFAOYSA-N

Compound name

6-(2,5-dioxopyrrol-1-yl)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 7605
Patents: 211.08446 Da
Monoisotopic Mass: 1.1
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]+	212.09174	147.4
[M+Na]+	234.07368	155.9
[M+NH4]+	229.11828	152.5
[M+K]+	250.04762	153.7
[M-H]-	210.07718	145.2
[M+Na-2H]-	232.05913	148.8
[M]+	211.08391	147.4
[M]-	211.08501	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe