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

8023
Patents

211.08446 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 144.8
[M+Na]+ 234.07368 152.4
[M-H]- 210.07718 145.6
[M+NH4]+ 229.11828 163.3
[M+K]+ 250.04762 150.4
[M+H-H2O]+ 194.08172 138.8
[M+HCOO]- 256.08266 165.9
[M+CH3COO]- 270.09831 183.5
[M+Na-2H]- 232.05913 146.3
[M]+ 211.08391 146.7
[M]- 211.08501 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe