CID 3072840

144850-33-9

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CCCCCCCCC1=NC(=O)N=C1CCCCCCCC(=O)O
InChI
InChI=1S/C19H32N2O3/c1-2-3-4-5-7-10-13-16-17(21-19(24)20-16)14-11-8-6-9-12-15-18(22)23/h2-15H2,1H3,(H,22,23)
InChIKey
KCYHYISMYRPOOO-UHFFFAOYSA-N
Compound name
8-(5-octyl-2-oxoimidazol-4-yl)octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.2413 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24858 187.2
[M+Na]+ 359.23052 195.0
[M+NH4]+ 354.27512 190.9
[M+K]+ 375.20446 190.3
[M-H]- 335.23402 184.8
[M+Na-2H]- 357.21597 187.4
[M]+ 336.24075 187.1
[M]- 336.24185 187.1
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

No patent data available for this compound.