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 186.5
[M+Na]+ 359.23052 190.9
[M-H]- 335.23402 184.6
[M+NH4]+ 354.27512 198.7
[M+K]+ 375.20446 186.5
[M+H-H2O]+ 319.23856 177.8
[M+HCOO]- 381.23950 204.3
[M+CH3COO]- 395.25515 211.4
[M+Na-2H]- 357.21597 184.0
[M]+ 336.24075 192.8
[M]- 336.24185 192.8
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.