CID 4618600

11-maleimidoundecanoic acid

Structural Information

Molecular Formula
C15H23NO4
SMILES
C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11H,1-9,12H2,(H,19,20)
InChIKey
UVZTZBRGZXIBLZ-UHFFFAOYSA-N
Compound name
11-(2,5-dioxopyrrol-1-yl)undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1625
Patents

281.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 167.6
[M+Na]+ 304.15194 173.0
[M-H]- 280.15544 167.5
[M+NH4]+ 299.19654 183.2
[M+K]+ 320.12588 169.8
[M+H-H2O]+ 264.15998 160.6
[M+HCOO]- 326.16092 187.0
[M+CH3COO]- 340.17657 198.5
[M+Na-2H]- 302.13739 166.4
[M]+ 281.16217 171.3
[M]- 281.16327 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.