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: 7291
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]+	212.091736	144.8
[M+Na]+	234.073678	152.4
[M-H]-	210.077184	145.6
[M+NH4]+	229.118283	163.3
[M+K]+	250.047618	150.4
[M+H-H2O]+	194.081720	138.8
[M+HCOO]-	256.082661	165.9
[M+CH3COO]-	270.098311	183.5
[M+Na-2H]-	232.059126	146.3
[M]+	211.08391142	146.7
[M]-	211.08500858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe